SCHEMBL5351999

SCHEMBL5351999

c1ccc2c(c1)c(C1CCNCC1)cn2Cc1ccsc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.46
SMO Q99835 1/20 0.44
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC5A1 P13866 3/20 0.41
SLC5A2 P31639 3/20 0.41
HRH2 P25021 4/20 0.41
KLK7 P49862 1/20 0.39
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
HTR2C P28335 3/20 0.39
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39
DRD2 P14416 1/20 0.39
ADRB2 P07550 1/20 0.38
CAMK2D Q13557 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL5346734 0.88 CNR1 (0.52) HTR6SMOMEN1MAPTKMT2A
SCHEMBL14280694 0.86 SMO (0.55) HTR6SMOMEN1MAPTKMT2A
SCHEMBL5346044 0.84 HTR6 (0.41) HTR6SLC5A1SLC5A2HRH2DRD2
SCHEMBL5344809 0.81 SMO (0.49) HTR6SMOMEN1MAPTKMT2A
SCHEMBL5749127 0.81 CNR1 (0.40) HTR6CNR2CNR1
SCHEMBL5341180 0.81 HTR6 (0.44) HTR6SLC5A2HRH2HTR2CHTR2A
Hydrochloric Acid SCHEMBL6133473 0.81 HTR6 (0.46) HTR6SMOMEN1MAPTKMT2A
SCHEMBL5342585 0.81 HRH2 (0.56) HTR6SMOSLC5A1SLC5A2HRH2
SCHEMBL5343906 0.80 HTR2A (0.58) HTR6SMOMEN1MAPTKMT2A
SCHEMBL5345509 0.79 CNR1 (0.50) HTR6SMOMEN1MAPTKMT2A

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