SCHEMBL9014112

SCHEMBL9014112

CCCCCCNC(C)=O.c1ccc(CN2CCC(Oc3ccccc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 1/20 0.51
ABL1 P00519 1/20 0.50
RIN1 Q13671 1/20 0.50
SLC5A7 Q9GZV3 1/20 0.50
HRH3 Q9Y5N1 2/20 0.49
OPRM1 P35372 2/20 0.48
OPRD1 P41143 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
S1PR5 Q9H228 1/20 0.48
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47

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
SCHEMBL9014140 0.81 HRH1 (0.54) L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL9013903 0.81 SMN1; SMN2 (0.58) OPRK1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL9013996 0.81 KEAP1 (0.49) LMNAALDH1A1
SCHEMBL9014111 0.79 ACHE (0.61) OPRK1SMN1; SMN2LMNAGAAABL1
SCHEMBL4464631 0.78 BCHE (0.65) SMN1; SMN2LMNANPC1RAB9AL3MBTL1
SCHEMBL4855546 0.78 HRH3 (0.74) OPRK1SMN1; SMN2GAAHRH3CARM1
SCHEMBL8480700 0.78 BCHE (0.55) SMN1; SMN2LMNANPC1RAB9AL3MBTL1
SCHEMBL1900651 0.77 MAOA (0.48) SMN1; SMN2LMNANPC1RAB9AL3MBTL1
SCHEMBL10838796 0.76 BCHE (0.47) SMN1; SMN2LMNANPC1RAB9AL3MBTL1
SCHEMBL11393297 0.76 NPC1 (0.56) SMN1; SMN2LMNANPC1RAB9AL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5580883-A INHIBITING DEGENERATION AND NECROCYTOSIS OF CEREBRAL NERVE CELLS CAUSED BY OXIDATIVE STRESS INDUCING GLUTAMIC ACID IN MAMMALS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-03 US disclosed
EP-0449195-B1 Aminobenzene compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-05-08 EP disclosed
EP-0449195-A2 Aminobenzene compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-10-02 EP disclosed