SCHEMBL9220152

SCHEMBL9220152

O=C(Cc1cccc2c1Cc1ccccc1-2)NC1CCCCCC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.52
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
PNMT P11086 1/20 0.48
HPGD P15428 1/20 0.46
EPHX1 P07099 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.45
POLB P06746 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
SCHEMBL9221121 0.81 PNMT (0.53) PNMTKMT2AMEN1ALDH1A1LMNA
SCHEMBL9228525 0.79 ALDH1A1 (0.60) RAB9ANPC1HPGDKMT2AMEN1
SCHEMBL9220147 0.77 EPHX2 (0.59) EPHX2RAB9ANPC1HPGDEPHX1
SCHEMBL3679238 0.76 PNMT (0.42) EPHX2RAB9ANPC1PNMTHPGD
SCHEMBL9225866 0.76 PNMT (0.50) PNMTKMT2AMEN1ALDH1A1LMNA
SCHEMBL1568269 0.76 PNMT (0.60) RAB9ANPC1PNMTKMT2AMEN1
SCHEMBL225715 0.76 PNMT (0.60) RAB9ANPC1PNMT
SCHEMBL11204188 0.75 PNMT (0.63) RAB9ANPC1PNMTHPGDKMT2A
SCHEMBL21758216 0.75 PNMT (0.58) RAB9ANPC1PNMTKMT2AMEN1
SCHEMBL11570811 0.75 PNMT (0.58) RAB9ANPC1PNMTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5420348-A Enzyme inhibitors YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-05-30 US disclosed
EP-0447116-B1 Urea derivatives, their production, and pharmaceutical compositions containing them YAMANOUCHI PHARMA CO LTD (JP) 1994-12-14 EP disclosed
US-5258405-A Acetyl coenzyme A cholesterol acetyltransferase inhibitors for cardiovascular disorders and atherosclerosis and antilipemic agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1993-11-02 US disclosed
EP-0447116-A1 Urea derivatives, their production, and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-09-18 EP disclosed