SCHEMBL3724959

SCHEMBL3724959

C=C(C)n1c(=O)n(CCBr)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
ATM Q13315 1/20 0.59
TACR1 P25103 3/20 0.43
OPRM1 P35372 3/20 0.43
HTT P42858 1/20 0.39
GAA P10253 1/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 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
SCHEMBL508219 0.91 MEN1 (0.57) MEN1KMT2AATMTACR1OPRM1
SCHEMBL1185879 0.84 MEN1 (0.63) MEN1KMT2AATMTACR1OPRM1
SCHEMBL11094129 0.83 MEN1 (0.58) MEN1KMT2AATMTACR1OPRM1
SCHEMBL6644290 0.82 MEN1 (0.41) MEN1KMT2AATMGAACNR1
SCHEMBL507642 0.82 MEN1 (0.60) MEN1KMT2AATMTACR1OPRM1
SCHEMBL21669394 0.81 MEN1 (0.53) MEN1KMT2AATMTACR1OPRM1
SCHEMBL7148607 0.81 MEN1 (0.59) MEN1KMT2AATMTACR1OPRM1
SCHEMBL14231423 0.80 MEN1 (0.54) MEN1KMT2AATMTACR1OPRM1
SCHEMBL11196860 0.80 MEN1 (0.58) MEN1KMT2AATMTACR1OPRM1
SCHEMBL11198749 0.80 MEN1 (0.58) MEN1KMT2AATMTACR1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107235913-B Method for efficiently manufacturing high-quality flibanserin on industrial scale 苏州科伦药物研究有限公司 2020-07-10 CN claimed
WO-2020026162-A1 PROCESS FOR THE MULTISTEP CONTINUOUS-FLOW PREPARATION OF FLIBANSERIN RICHTER GEDEON NYRT. (HU) 2020-02-06 WO disclosed
WO-2010128516-A3 PROCESS FOR THE PREPARATION OF FLIBANSERIN INVOLVING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2012-11-29 WO disclosed
WO-2010128516-A2 PROCESS FOR THE PREPARATION OF FLIBANSERIN INVOLVING NOVEL INTERMEDIATES SYMED LABS LIMITED (IN) 2010-11-11 WO disclosed
EP-0431943-B1 Spiro(pyran)piperidine derivatives MERCK & CO INC (US) 1998-07-15 EP disclosed
US-5633247-A ANTIARRTHYMIA AGENT MERCK & CO., INC. (US) 1997-05-27 US disclosed
US-5206240-A Antiarrhythmia agents MERCK & CO., INC. (US) 1993-04-27 US disclosed
EP-0431943-A2 Nitrogen-containing spirocycles MERCK & CO. INC. (US) 1991-06-12 EP disclosed