SCHEMBL6992269

SCHEMBL6992269

COc1ccc(CN2CCC(c3c[nH]c4ccc(CC(OC)c5cccs5)cc34)CC2)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 5/20 0.54
HTR2A P28223 3/20 0.46
HTR2C P28335 3/20 0.46
HTR2B P41595 3/20 0.46
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
NOS3 P29474 3/20 0.41
NOS1 P29475 3/20 0.41
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ACHE P22303 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 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
SCHEMBL7092859 0.81 HRH2 (0.61) HRH2HTR2AHTR2CHTR2BOPRM1
SCHEMBL6991457 0.76 HTR1D (0.46) HRH2HTR2AHTR2CHTR2BOPRM1
SCHEMBL6995543 0.74 SLC6A4 (0.42) HTR2AACHE
SCHEMBL5341488 0.74 HDAC1 (0.59) HRH2HTR2AHTR2CHTR2BOPRM1
SCHEMBL5343841 0.72 PDE4B (0.59) HRH2HTR2AHTR2CHTR2BOPRM1
SCHEMBL5344198 0.70 HRH2 (1.00) HRH2HTR2AHTR2CHTR2B
SCHEMBL5355408 0.69 HRH2 (0.84) HRH2HTR2AHTR2CHTR2B
SCHEMBL5344550 0.69 HRH2 (0.87) HRH2HTR2AHTR2CHTR2B
SCHEMBL5350986 0.68 HRH2 (1.00) HRH2HTR2AHTR2CHTR2B
SCHEMBL4055486 0.68 HRH2 (0.78) HRH2HTR2AHTR2CHTR2BACHE

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