SCHEMBL7469554

SCHEMBL7469554

O=C(c1nc2ccccc2n1Cc1ccco1)C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.49
ALDH1A1 P00352 9/20 0.49
TSHR P16473 9/20 0.49
HSD17B10 Q99714 4/20 0.49
KDM4E B2RXH2 3/20 0.49
USP2 O75604 1/20 0.49
HTT P42858 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.44
CFTR P13569 1/20 0.43
ATM Q13315 2/20 0.42
TACR2 P21452 1/20 0.42
TACR1 P25103 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
TRPC4 Q9UBN4 1/20 0.40
TRPC5 Q9UL62 1/20 0.40
LMNA P02545 3/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL7466438 0.85 HRH1 (0.54) HRH1ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL7465508 0.84 HRH1 (0.41) HRH1ALDH1A1MAPTKMT2ATACR2
Hydrochloric Acid SCHEMBL7887857 0.82 HTR3A (0.52) HRH1KDM4ETACR2TACR1SMN1; SMN2
SCHEMBL7465460 0.80 HRH1 (0.51) HRH1ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL9260920 0.80 KDM4E (0.50) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL7470479 0.80 HRH1 (0.50) HRH1HSD17B10KDM4EHTTCFTR
SCHEMBL7474308 0.80 HRH1 (0.62) HRH1TACR2TACR1
SCHEMBL9695580 0.78 POLB (0.60) HRH1ALDH1A1HSD17B10KDM4EHTT
SCHEMBL7468259 0.78 HTR3A (0.54) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL9540254 0.77 TSHR (0.52) ALDH1A1TSHRHSD17B10KDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882038-B1 SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES AVENTIS PHARMA INC (US) 2002-12-18 EP disclosed
US-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
US-6297259-B1 HISTAMINE RECEPTOR ANTAGONISTS AND TACHYKININ RECEPTOR ANTAGONISTS. AVENTIS PHARMACEUTICALS INC. 2001-10-02 US disclosed
US-5998439-A RESPIRATORY SYSTEM DISORDERS Hoescht Marion Roussel, Inc. (US) 1999-12-07 US disclosed
EP-0777666-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP disclosed
EP-0882038-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1998-12-09 EP disclosed
WO-1997030990-A1 NOVEL SUBSTITUTED N-METHYL-N-(4-(PIPERIDIN-1-YL)-2-(ARYL)BUTYL)BENZAMIDES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-08-28 WO disclosed
EP-0777666-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1997-06-11 EP disclosed
WO-1996006094-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1996-02-29 WO disclosed