SCHEMBL5358649

SCHEMBL5358649

COc1ccc2c(c1)c(C1CCNCC1)cn2Cc1cccs1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 5/20 0.48
HTR6 P50406 3/20 0.46
HTR2A P28223 2/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2C P28335 3/20 0.39
SLC5A2 P31639 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR2B P41595 1/20 0.36

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
SCHEMBL5344681 0.83 HTR2C (0.48) HRH2HTR6HTR2AHTR2CSLC5A2
SCHEMBL5342585 0.82 HRH2 (0.56) HRH2HTR6HTR2CSLC5A2
SCHEMBL5341180 0.82 HTR6 (0.44) HRH2HTR6HTR2AHTR2CSLC5A2
SCHEMBL5350942 0.82 HTR6 (0.46) HRH2HTR6HTR2AHTR1ADRD2
SCHEMBL5346308 0.81 HRH2 (0.53) HRH2HTR2AHTR2CALDH1A1KDM4E
SCHEMBL5347909 0.80 HTR2C (0.53) HRH2HTR6HTR2AHTR2CSLC5A2
SCHEMBL5345507 0.79 HRH2 (0.64) HRH2HTR2AHTR2CHTR2B
SCHEMBL5349323 0.78 HRH2 (0.65) HRH2HTR2AHTR2CHTR2B
SCHEMBL5351938 0.78 HRH2 (0.56) HRH2HTR6HTR1ADRD2
SCHEMBL5349808 0.77 HRH2 (0.78) HRH2HTR2AHTR2CHTR2B

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