SCHEMBL8920344

SCHEMBL8920344

COc1ccc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)c2ccc(=O)[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK14 Q16539 1/20 0.43
POLB P06746 2/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SCN9A Q15858 1/20 0.40
MEN1 O00255 4/20 0.39
KDM4E B2RXH2 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
ADRB2 P07550 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
CHIA Q9BZP6 1/20 0.38
CCR3 P51677 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
Hydrochloric Acid SCHEMBL8918122 0.99 KMT2A (0.45) KMT2ACYP2C9CYP2C19MAPK14POLB
SCHEMBL8922159 0.82 MEN1 (0.43) KMT2ACYP2C9CYP2C19MAPK14POLB
Hydrochloric Acid SCHEMBL8920610 0.82 ALDH1A1 (0.45) KMT2ACYP2C9CYP2C19MAPK14POLB
Hydrochloric Acid SCHEMBL8919801 0.82 MEN1 (0.42) KMT2ACYP2C9CYP2C19MAPK14POLB
SCHEMBL8918884 0.82 MAPK14 (0.51) KMT2ACYP2C9CYP2C19MAPK14POLB
Hydrochloric Acid SCHEMBL8921214 0.78 CYP2C9 (0.43) KMT2ACYP2C9CYP2C19MAPK14POLB
SCHEMBL8917958 0.76 ALDH1A1 (0.58) POLBALDH1A1KDM4ELMNA
SCHEMBL8919087 0.75 DRD4 (0.42) KMT2AL3MBTL1MEN1DRD4CHIA
Oxalic Acid SCHEMBL7478101 0.75 MEN1 (0.63) KMT2ACYP2C19POLBGAAALDH1A1
SCHEMBL8920236 0.74 DRD4 (0.41) KMT2APOLBL3MBTL1MEN1DRD4

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 claimed
EP-0636128-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-01 EP claimed
WO-1994019339-A1 PIPERAZINOCARBONYLCARBOSTYRILS AS PERIPHERAL VASODILATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO claimed