SCHEMBL1387253

SCHEMBL1387253

O=C1N(Cc2ccccc2)CCC1(CCN1CCC(O)(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.42
HTR3A P46098 1/20 0.40
HRH1 P35367 12/20 0.39
CYP2D6 P10635 7/20 0.39
CHRM1 P11229 3/20 0.39
KCNH2 Q12809 3/20 0.39
NR4A2 P43354 1/20 0.39
TACR2 P21452 1/20 0.38
TACR1 P25103 1/20 0.38
TP53 P04637 2/20 0.38

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
SCHEMBL7947445 0.96 SSTR5 (0.41) SSTR5HTR3AHRH1CYP2D6CHRM1
SCHEMBL8303798 0.95 SSTR5 (0.41) SSTR5HTR3AHRH1CYP2D6CHRM1
SCHEMBL1388865 0.91 HRH1 (0.52) HRH1TACR1
SCHEMBL8307210 0.91 SSTR5 (0.41) SSTR5HTR3AHRH1CYP2D6CHRM1
SCHEMBL1387145 0.89 HRH1 (0.53) SSTR5HRH1TACR2TACR1
SCHEMBL7954465 0.88 HRH1 (0.49) SSTR5HRH1TACR1
SCHEMBL7961463 0.87 HRH1 (0.51) SSTR5HTR3AHRH1CYP2D6CHRM1
SCHEMBL7962558 0.86 HRH1 (0.50) SSTR5HRH1TACR1
SCHEMBL1387148 0.86 HRH1 (0.51) HRH1TACR1
SCHEMBL8303800 0.86 SSTR5 (0.38) SSTR5HTR3AHRH1CYP2D6CHRM1

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
US-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US claimed
EP-0777666-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP claimed
JP-H10504580-A MERRELL PHARMA INC (US) 1998-05-06 JP claimed
EP-0777666-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1997-06-11 EP claimed
WO-1996006094-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1996-02-29 WO claimed
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
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