SCHEMBL3389096

SCHEMBL3389096

c1ccc(CCN(CCc2ccccn2)Cc2cccc(CN(CCc3ccccn3)CCc3ccccn3)c2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
RECQL P46063 1/20 0.61
CYP1A2 P05177 3/20 0.58
CYP3A4 P08684 2/20 0.58
TDP1 Q9NUW8 3/20 0.53
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LIN28A Q9H9Z2 1/20 0.53
ATM Q13315 1/20 0.52
KDM4E B2RXH2 3/20 0.50
TSHR P16473 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.50
HRH1 P35367 1/20 0.46
ALDH1A1 P00352 1/20 0.44
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3392354 0.86 APP (0.57) CYP2D6CYP2C9CYP2C19RECQLCYP1A2
SCHEMBL13016958 0.84 MAPT (0.63) CYP2D6CYP2C9CYP2C19RECQLCYP1A2
SCHEMBL4033092 0.84 TDP1 (0.74) CYP2D6CYP2C9CYP2C19RECQLCYP1A2
SCHEMBL27219673 0.82 TDP1 (0.71) CYP2D6CYP2C9CYP2C19RECQLCYP1A2
SCHEMBL4961822 0.82 TDP1 (0.63) CYP2D6CYP2C9CYP2C19RECQLCYP1A2
SCHEMBL4854669 0.81 TDP1 (0.58) CYP2D6CYP2C9CYP2C19RECQLCYP1A2
SCHEMBL4811639 0.81 CYP1A2 (0.63) CYP2D6CYP2C9CYP2C19RECQLCYP1A2
SCHEMBL8772399 0.80 TDP1 (0.81) CYP2D6CYP2C9CYP2C19RECQLCYP1A2
SCHEMBL29980782 0.79 CYP1A2 (0.61) CYP2C19CYP1A2CYP3A4TDP1MAPT
SCHEMBL23495440 0.79 TDP1 (0.78) CYP2D6CYP2C9CYP2C19RECQLCYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468801-B1 PROCESS FOR PRODUCING THERMOPLASTIC RESIN COMPOSITION, MOLDED OBJECT, AND LUMINESCENT OBJECT MITSUBISHI RAYON CO (JP) 2017-04-26 EP disclosed
US-8889785-B2 Production method of thermoplastic resin composition, molded body, and light emission body MITSUBISHI RAYON CO., LTD. (JP) 2014-11-18 US disclosed
US-20120214922-A1 PRODUCTION METHOD OF THERMOPLASTIC RESIN COMPOSITION, MOLDED BODY, AND LIGHT EMISSION BODY MITSUBISHI RAYON CO., LTD. (JP) 2012-08-23 US disclosed
EP-2468801-A1 PROCESS FOR PRODUCING THERMOPLASTIC RESIN COMPOSITION, MOLDED OBJECT, AND LUMINESCENT OBJECT Mitsubishi Rayon Co., Ltd. (JP) 2012-06-27 EP disclosed
EP-1325777-B1 ABSORBENTS AND PROCESS FOR PRODUCING THE SAME, ABSORBABLE CONSTRUCTS AND ABSORBABLE ARTICLES SANYO CHEMICAL IND LTD (JP) 2010-12-22 EP disclosed
US-7087669-B2 Absorbents and process for producing the same, absorbable constructs and absorbable articles SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2006-08-08 US disclosed
US-6951911-B2 Cross-linked polymer and process for producing the same, absorptive structure and absorptive article SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2005-10-04 US disclosed
US-6810575-B1 COMPRISES SUBSTRATE HAVING ON UPPER SURFACE A PLURALITY OF METAL OXIDE NEEDLES EXTENDING UPWARDLY OF SURFACE WITH THEIR CENTRAL AXES PARALLEL WITH EACH OTHER; NEEDLES HAVE SPECIFIC AVERAGE CIRCLE-BASED DIAMETER, ASPECT RATIO; CAPACITOR ASAHI KASAI CHEMICALS CORPORATION (JP) 2004-11-02 US disclosed
EP-1457541-A1 WATER ABSORBING AGENT, PROCESS FOR ITS PRODUCTION, AND ABSORBERS AND ABSORBENT ARTICLES MADE BY USING THE AGENT San-Dia Polymers, Ltd. (JP) 2004-09-15 EP disclosed
US-20040024104-A1 Absorbents and process for producing the same, absorbable constructs and absorbable articles SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-05 US disclosed
EP-1325777-A1 ABSORBENTS AND PROCESS FOR PRODUCING THE SAME, ABSORBABLE CONSTRUCTS AND ABSORBABLE ARTICLES SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2003-07-09 EP disclosed
US-20030078349-A1 For use in paper diaper, a physiological napkin, a pad, a paper towel TAGAWA DAISUKE (JP) 2003-04-24 US disclosed
EP-1275669-A1 CROSSLINKED POLYMER, PROCESS FOR PRODUCING THE SAME, ABSORBENT STRUCTURE, AND ABSORBENT ARTICLE SANYO CHEMICAL INDUSTRIES, Ltd. (JP) 2003-01-15 EP disclosed