SCHEMBL5346296

SCHEMBL5346296

CCOC(=O)N1CCC(c2cn(CCc3ccsc3)c3ccc(OC)cc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 5/20 0.48
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
HTR2B P41595 3/20 0.43
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
TSHR P16473 1/20 0.39
HRH1 P35367 1/20 0.39
HPGD P15428 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
SCHEMBL5345919 0.91 CYP1A2 (0.46) HRH2CYP1A2CYP2C9CYP2C19HTR2A
SCHEMBL5345523 0.87 CNR1 (0.53) HRH2CYP1A2CYP2C9CYP2C19HTR2A
SCHEMBL5344576 0.83 HRH2 (0.47) HRH2CYP1A2CYP2C9CYP2C19CNR1
SCHEMBL5345532 0.82 HTR6 (0.43) HRH2HTR2AHTR2CHTR2BCNR1
SCHEMBL5341487 0.81 HRH2 (0.52) HRH2HTR2AHTR2CHTR2B
SCHEMBL5346308 0.80 HRH2 (0.53) HRH2HTR2AHTR2CHTR2BAKR1B10
SCHEMBL5344080 0.80 HRH2 (0.57) HRH2HTR2AHTR2CHTR2BCNR1
SCHEMBL5349545 0.80 HRH2 (0.58) HRH2HTR2AHTR2CHTR2B
SCHEMBL5357499 0.79 HRH2 (0.61) HRH2HTR2AHTR2CHTR2B
SCHEMBL5350384 0.78 HTR2A (0.57) HRH2HTR2AHTR2CHTR2BAKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189741-B2 Indolylpiperidine derivatives as antihistaminic and antiallergic agents ALMIRALL PRODESFARMA S.A. (ES) 2007-03-13 US disclosed
EP-1330453-B1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2006-03-29 EP disclosed
US-20040116471-A1 Indolylpiperidine derivatives as antihistaminic aand antiallergic agents ALMIRALL PRODESFARMA S.A. (ES) 2004-06-17 US disclosed
EP-1330453-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2003-07-30 EP disclosed
WO-2002036589-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA S.A. (ES) 2002-05-10 WO disclosed