SCHEMBL5345532

SCHEMBL5345532

COc1ccc2c(c1)c(C1CCNCC1)cn2CCc1ccsc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.43
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
HRH2 P25021 2/20 0.40
MCHR1 Q99705 2/20 0.37
HTR2C P28335 4/20 0.36
HTR2A P28223 2/20 0.35
HTR2B P41595 2/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL5341180 0.90 HTR6 (0.44) HTR6HRH2MCHR1HTR2CHTR2A
SCHEMBL5346734 0.82 CNR1 (0.52) HTR6CNR1CNR2HRH2HTR2C
SCHEMBL5346296 0.82 HRH2 (0.48) CNR1CNR2HRH2HTR2CHTR2A
SCHEMBL5341487 0.78 HRH2 (0.52) HRH2HTR2CHTR2AHTR2B
SCHEMBL5344741 0.78 SLC6A4 (0.42) HTR6CNR1CNR2HRH2
SCHEMBL5349545 0.77 HRH2 (0.58) HRH2HTR2CHTR2AHTR2B
SCHEMBL5344080 0.77 HRH2 (0.57) CNR1CNR2HRH2HTR2CHTR2A
SCHEMBL5358649 0.77 HRH2 (0.48) HTR6HRH2HTR2CHTR2AHTR2B
SCHEMBL4490329 0.77 HTR6 (0.53) HTR6HTR2C
SCHEMBL5357499 0.77 HRH2 (0.61) HRH2HTR2CHTR2AHTR2B

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