SCHEMBL4675701

SCHEMBL4675701

[CH2]CC1Cc2ccccc2OO1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
MAOA P21397 6/20 0.33
MAOB P27338 6/20 0.33
AOC2 O75106 5/20 0.33
DAO P14920 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
KDM1A O60341 4/20 0.31
SIGMAR1 Q99720 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL3767763 0.81 HRH3 (0.37) HRH3MAOAMAOBAOC2DAO
SCHEMBL502587 0.81 MAOA (0.40) HRH3MAOAMAOBAOC2DAO
SCHEMBL8405409 0.81 HRH3 (0.37) HRH3MAOAMAOBAOC2DAO
SCHEMBL27574307 0.81 HRH3 (0.37) HRH3MAOAMAOBAOC2DAO
SCHEMBL2452704 0.81 HRH3 (0.37) HRH3MAOAMAOBAOC2DAO
SCHEMBL6723015 0.81 HRH3 (0.53) HRH3MAOAMAOBAOC2DAO
SCHEMBL6174120 0.77 HRH3 (0.35) HRH3MAOAMAOBAOC2DAO
SCHEMBL4214550 0.77 HRH3 (0.35) HRH3MAOAMAOBAOC2DAO
SCHEMBL11451572 0.76 HTT (0.38) HRH3HPGDTSHR
SCHEMBL5807373 0.75 HRH3 (0.33) HRH3MAOAMAOBAOC2DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1416933-B8 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-08-27 EP disclosed
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed
EP-1416933-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgem, Inc. (US) 2004-05-12 EP disclosed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 WO disclosed
EP-0065864-B1 ANTI-HYPERTENSIVE 1-SUBSTITUTED SPIRO (PIPERIDINE-OXOBENZOXAZINES) SYNTEX (U.S.A.) INC. (US) 1985-08-28 EP disclosed
EP-0065864-A1 Anti-hypertensive 1-substituted spiro (piperidine-oxobenzoxazines) SYNTEX (U.S.A.) INC. (US) 1982-12-01 EP disclosed
US-4349549-A Anti-hypertensive 1-substituted spiro(piperidine-oxobenzoxazine)s SYNTEX (U.S.A.) INC. (US) 1982-09-14 US disclosed