SCHEMBL8919246

SCHEMBL8919246

Cc1cc2c(cc1C(=O)N1CCC(N(C)CCc3ccccc3)CC1)CCC(=O)N2OC(=O)C(=O)ON1C(=O)CCc2cc(C(=O)N3CCC(N(C)CCc4ccccc4)CC3)c(C)cc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
GRIN2B Q13224 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR2B P41595 1/20 0.37
MAPK14 Q16539 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.35
OPRM1 P35372 1/20 0.35
CHIA Q9BZP6 1/20 0.35

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
SCHEMBL8919243 0.79 L3MBTL1 (0.38) L3MBTL1GRIN2BOPRM1
Oxalic Acid SCHEMBL8919236 0.78 MEN1 (0.41) L3MBTL1GRIN2BCYP2C9CYP2C19HTR2B
Hydrochloric Acid SCHEMBL8922908 0.73 MAPK14 (0.41) GRIN2BCYP2C9CYP2C19MAPK14MEN1
SCHEMBL9391461 0.72 L3MBTL1 (0.43) L3MBTL1CYP2C9CYP2C19HTR2BMAPK14
Hydrochloric Acid SCHEMBL7470749 0.71 L3MBTL1 (0.43) L3MBTL1CYP2C9CYP2C19HTR2BMAPK14
Hydrochloric Acid SCHEMBL7470963 0.71 HTT (0.53) L3MBTL1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL9207045 0.71 CCR3 (0.41) L3MBTL1GRIN2BCYP2C9CYP2C19HTR2B
Hydrochloric Acid SCHEMBL8918415 0.70 CCR3 (0.41) L3MBTL1GRIN2BCYP2C9CYP2C19HTR2B
SCHEMBL8922923 0.70 CRBN (0.48) GRIN2BCHIA
Hydrochloric Acid SCHEMBL8919035 0.70 GRIN2B (0.39) L3MBTL1GRIN2BMEN1KMT2APKM

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