SCHEMBL5345523

SCHEMBL5345523

CCOC(=O)N1CCC(c2cn(CCc3ccsc3)c3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HRH2 P25021 13/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL5347587 0.90 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19HRH2HTR2A
SCHEMBL5344576 0.87 HRH2 (0.47) CNR1CNR2CYP1A2CYP2C9CYP2C19
SCHEMBL5346296 0.87 HRH2 (0.48) CNR1CNR2CYP1A2CYP2C9CYP2C19
SCHEMBL14559252 0.83 KDM4E (0.51) HRH2HTR2AHTR2CHTR2BUSP2
SCHEMBL4055298 0.82 HRH2 (0.66) HRH2HTR2AHTR2CHTR2B
SCHEMBL4063089 0.82 HRH2 (0.55) HRH2HTR2AHTR2CHTR2BHSD17B10
SCHEMBL5356085 0.81 HRH2 (0.62) CNR1CNR2HRH2HTR2AHTR2C
SCHEMBL5346890 0.81 HRH2 (0.59) HRH2HTR2AHTR2CHTR2BUSP2
SCHEMBL6784820 0.80 KDM4E (0.48) CNR1HRH2HTR2AHTR2CHTR2B
SCHEMBL5347830 0.80 CNR2 (0.53) CNR1CNR2HRH2

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