SCHEMBL8919243

SCHEMBL8919243

CCc1cc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)cc2c1N(OC(=O)C(=O)ON1C(=O)CCc3cc(C(=O)N4CCC(N(C)CCc5ccccc5)CC4)cc(CC)c31)C(=O)CC2

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
ACHE P22303 2/20 0.37
GRIN2B Q13224 2/20 0.37
OPRM1 P35372 1/20 0.36

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
Oxalic Acid SCHEMBL8920376 0.87 MEN1 (0.39) L3MBTL1ACHEGRIN2BOPRM1
SCHEMBL8919246 0.79 L3MBTL1 (0.38) L3MBTL1GRIN2BOPRM1
Oxalic Acid SCHEMBL8919232 0.78 MEN1 (0.41) L3MBTL1GRIN2BOPRM1
SCHEMBL8920236 0.74 DRD4 (0.41) L3MBTL1GRIN2BOPRM1
SCHEMBL8922923 0.73 CRBN (0.48) GRIN2B
SCHEMBL8919777 0.73 CHIA (0.42) L3MBTL1GRIN2B
Hydrochloric Acid SCHEMBL8919208 0.73 DRD4 (0.41) L3MBTL1GRIN2BOPRM1
Hydrochloric Acid SCHEMBL8919035 0.73 GRIN2B (0.39) L3MBTL1GRIN2B
SCHEMBL7473094 0.73 HSD11B1 (0.56) L3MBTL1OPRM1
Hydrochloric Acid SCHEMBL8921524 0.73 ALDH1A1 (0.41) ACHEGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5591751-A CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-07 US disclosed
EP-0636128-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-01 EP disclosed
WO-1994019339-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed