SCHEMBL5339248

SCHEMBL5339248

c1ccc2c(c1)c(C1CCNCC1)cn2CCC1OCCO1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 8/20 0.56
HTR6 P50406 1/20 0.46
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
SLC6A4 P31645 1/20 0.39
SLC5A1 P13866 2/20 0.39
SLC5A2 P31639 2/20 0.39
HTR2C P28335 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38
ADRB2 P07550 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
SCHEMBL5349889 0.85 HRH2 (0.59) HRH2HTR6CNR1CNR2SLC6A4
SCHEMBL5346880 0.84 SLC6A4 (0.46) HRH2HTR6SLC6A4
SCHEMBL5342259 0.81 CNR2 (0.53) HTR6CNR1CNR2
SCHEMBL4055511 0.79 HRH2 (0.53) HRH2HTR6CNR1CNR2SLC6A4
SCHEMBL5346890 0.78 HRH2 (0.59) HRH2HTR2CHTR2AHTR2B
SCHEMBL8316249 0.78 HTR6 (0.53) HTR6SLC6A4HTR2CADRB2
SCHEMBL4056205 0.78 HTR6 (0.48) HRH2HTR6CNR1CNR2HTR2C
SCHEMBL7136158 0.78 HRH2 (0.49) HRH2HTR6CNR1CNR2HTR2C
SCHEMBL6781286 0.77 HTR6 (0.52) HRH2HTR6CNR1CNR2SLC6A4
SCHEMBL4058347 0.76 HRH2 (0.58) HRH2HTR6HTR2CHTR2AHTR2B

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