SCHEMBL8920236

SCHEMBL8920236

CCc1cc(C(=O)N2CCC(N(C)CCc3ccccc3)CC2)cc2ccc(=O)[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.41
CHIA Q9BZP6 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
OPRM1 P35372 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CHIT1 Q13231 1/20 0.36
NAPEPLD Q6IQ20 1/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 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
Hydrochloric Acid SCHEMBL8919208 0.99 DRD4 (0.41) DRD4CHIAL3MBTL1GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL8919880 0.94 DRD4 (0.40) DRD4CHIAL3MBTL1GRIN2DGRIN3B
SCHEMBL8919087 0.90 DRD4 (0.42) DRD4CHIAL3MBTL1GRIN2DGRIN3B
SCHEMBL8922159 0.89 MEN1 (0.43) DRD4CHIAMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL8919801 0.88 MEN1 (0.42) DRD4CHIAMEN1KMT2APOLB
Hydrochloric Acid SCHEMBL8920956 0.85 HTT (0.45) DRD4CHIAL3MBTL1MEN1KMT2A
SCHEMBL8918938 0.84 PDE3B (0.48) DRD4CHIAGRIN2DGRIN3BGRIN1
Oxalic Acid SCHEMBL8919232 0.77 MEN1 (0.41) CHIAL3MBTL1GRIN2BOPRM1MEN1
SCHEMBL8917647 0.76 MEN1 (0.46) DRD4CHIAGRIN2DGRIN3BGRIN1
SCHEMBL8918884 0.76 MAPK14 (0.51) CHIAGRIN2DGRIN3BGRIN1GRIN2A

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