SCHEMBL5344576

SCHEMBL5344576

CCOC(=O)N1CCC(c2cn(CCc3ccsc3)c3cc(F)ccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 14/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
DRD2 P14416 2/20 0.44
SLC6A4 P31645 2/20 0.44
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
BRD4 O60885 1/20 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
SCHEMBL5340681 0.91 HRH2 (0.48) HRH2CYP1A2CYP2C9CYP2C19DRD2
SCHEMBL5345523 0.87 CNR1 (0.53) HRH2CYP1A2CYP2C9CYP2C19CNR1
SCHEMBL5346296 0.83 HRH2 (0.48) HRH2CYP1A2CYP2C9CYP2C19CNR1
SCHEMBL5342134 0.82 HRH2 (0.50) HRH2DRD2SLC6A4
SCHEMBL5341750 0.80 HRH2 (0.63) HRH2DRD2SLC6A4BRD4
SCHEMBL5344741 0.79 SLC6A4 (0.42) HRH2DRD2SLC6A4CNR1CNR2
SCHEMBL5347587 0.78 CYP1A2 (0.50) HRH2CYP1A2CYP2C9CYP2C19DRD2
SCHEMBL5354709 0.78 HRH2 (0.64) HRH2DRD2SLC6A4
SCHEMBL5343718 0.78 HRH2 (0.73) HRH2
SCHEMBL5345690 0.77 HRH2 (0.73) HRH2

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