SCHEMBL8921489

SCHEMBL8921489

CN(CCc1ccccc1)C1CCN(C(=O)c2cc3c(c(NCc4ccccc4)c2)NC(=O)CC3)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
TP53BP1 Q12888 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
CHIA Q9BZP6 1/20 0.38
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
GRIN2B Q13224 2/20 0.37
HTR1A P08908 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
DRD4 P21917 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MCHR1 Q99705 1/20 0.35
PARP1 P09874 1/20 0.35
PKM P14618 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
SCHEMBL8919777 0.86 CHIA (0.42) L3MBTL1L3MBTL3CHIAABL1RIN1
Hydrochloric Acid SCHEMBL8919035 0.86 GRIN2B (0.39) BRD4L3MBTL1CHIAABL1RIN1
Oxalic Acid SCHEMBL8919232 0.85 MEN1 (0.41) BRD4L3MBTL1CHIAABL1RIN1
Hydrochloric Acid SCHEMBL8921524 0.84 ALDH1A1 (0.41) GRIN2BKMT2AMEN1NPSR1
SCHEMBL8919205 0.84 HTT (0.45) L3MBTL1CHIAGRIN2BKMT2AMEN1
SCHEMBL8922923 0.82 CRBN (0.48) CHIAGRIN2BDRD4
SCHEMBL9207045 0.79 CCR3 (0.41) L3MBTL1CHIAGRIN2BHTR2BKMT2A
Hydrochloric Acid SCHEMBL8918415 0.78 CCR3 (0.41) L3MBTL1CHIAGRIN2BHTR2BKMT2A
SCHEMBL8919197 0.77 CRBN (0.47) GRIN2BDRD4MCHR1
Hydrochloric Acid SCHEMBL7470903 0.75 HSD11B1 (0.47) CHIAGRIN2B

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