SCHEMBL7092859

SCHEMBL7092859

COc1ccc(CN2CCC(c3c[nH]c4ccccc34)CC2)cc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 5/20 0.61
HTR2A P28223 3/20 0.61
HTR2C P28335 3/20 0.61
HTR2B P41595 3/20 0.61
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
CHRM4 P08173 1/20 0.53
OPRM1 P35372 1/20 0.52
OPRK1 P41145 1/20 0.52
OPRL1 P41146 1/20 0.52
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL5341488 0.92 HDAC1 (0.59) HRH2HTR2AHTR2CHTR2BHDAC3
SCHEMBL5343841 0.89 PDE4B (0.59) HRH2HTR2AHTR2CHTR2BHDAC3
SCHEMBL6992269 0.81 HRH2 (0.54) HRH2HTR2AHTR2CHTR2BHDAC3
SCHEMBL6785509 0.81 HDAC1 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6783190 0.80 CHRM4 (0.60) HRH2HTR2AHTR2CHTR2BHDAC3
SCHEMBL5340262 0.79 HDAC3 (0.53) HRH2HTR2AHDAC3HDAC4HDAC1
SCHEMBL5344471 0.79 HDAC3 (0.57) HRH2HTR2AHTR2CHTR2BHDAC3
SCHEMBL6781691 0.79 KDM4E (0.57) HRH2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4052419 0.78 DRD2 (0.54) HRH2HTR2AHTR2CHTR2BKDM4E
SCHEMBL9032088 0.78 OPRM1 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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