SCHEMBL7947419

SCHEMBL7947419

COc1ccc(C2(CCS(C)(=O)=O)CCN(C(=O)c3ccccn3)C2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.49
KCNH2 Q12809 1/20 0.49
HRH1 P35367 4/20 0.43
TACR2 P21452 7/20 0.42
TACR1 P25103 6/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CSF1R P07333 1/20 0.42
TACR3 P29371 1/20 0.41
DRD2 P14416 1/20 0.41
PDE4B Q07343 1/20 0.41

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
SCHEMBL7947479 0.89 CCR8 (0.52) CCR8KCNH2HRH1TACR2TACR1
SCHEMBL7961464 0.86 HRH1 (0.50) HRH1TACR2TACR1TACR3
SCHEMBL7958307 0.81 TACR2 (0.55) HRH1TACR2TACR1TACR3
SCHEMBL7955900 0.80 HRH1 (0.52) HRH1TACR2TACR1SMN1; SMN2TACR3
SCHEMBL8814905 0.79 RAB9A (0.40) CCR8KCNH2KDM4ENPC1RAB9A
SCHEMBL8303632 0.76 TACR1 (0.56) HRH1TACR2TACR1TACR3
SCHEMBL8883701 0.75 TACR2 (0.55) HRH1TACR2TACR1TACR3
SCHEMBL7947283 0.75 TACR2 (0.57) HRH1TACR2TACR1TACR3
SCHEMBL8356003 0.75 TACR2 (0.48) HRH1TACR2TACR1TACR3
SCHEMBL7956025 0.74 HRH1 (0.52) HRH1TACR2TACR1TACR3

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-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
EP-0777666-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP disclosed
WO-1996006094-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1996-02-29 WO disclosed