SCHEMBL5355591

SCHEMBL5355591

c1coc(Cn2cc(C3CCNCC3)c3ccccc32)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 4/20 0.56
HTR6 P50406 1/20 0.46
SMO Q99835 1/20 0.39
SLC5A1 P13866 2/20 0.39
SLC5A2 P31639 2/20 0.39
HTR2C P28335 4/20 0.39
HTR2A P28223 2/20 0.39
HTR2B P41595 2/20 0.39
STAT3 P40763 1/20 0.38
TSHR P16473 1/20 0.38
ADRB2 P07550 1/20 0.38
CAMK2D Q13557 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
APEX1 P27695 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
SCHEMBL5349179 0.85 HRH2 (0.58) HRH2HTR6ALDH1A1KDM4EHPGD
SCHEMBL5350942 0.82 HTR6 (0.46) HRH2HTR6SLC5A2HTR2CHTR2A
SCHEMBL4055720 0.81 HRH2 (0.43) HRH2STAT3TSHRALDH1A1KDM4E
SCHEMBL14280694 0.81 SMO (0.55) HTR6SMOSLC5A1SLC5A2HTR2C
SCHEMBL5343906 0.80 HTR2A (0.58) HRH2HTR6SMOSLC5A1SLC5A2
SCHEMBL5342585 0.78 HRH2 (0.56) HRH2HTR6SMOSLC5A1SLC5A2
SCHEMBL8316249 0.78 HTR6 (0.53) HTR6HTR2CADRB2CAMK2DALDH1A1
SCHEMBL6781286 0.77 HTR6 (0.52) HRH2HTR6SMOHTR2CADRB2
SCHEMBL5344809 0.77 SMO (0.49) HTR6SMOSLC5A1SLC5A2HTR2C
SCHEMBL5349348 0.77 HRH2 (0.60) 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