SCHEMBL8917647

SCHEMBL8917647

Cc1cc2cc(C(=O)N3CCC(N(C)CCc4ccccc4)CC3)ccc2[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
DRD4 P21917 3/20 0.44
KDR P35968 3/20 0.44
OXTR P30559 1/20 0.43
MAPK14 Q16539 1/20 0.43
CHIA Q9BZP6 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41

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
SCHEMBL8918938 0.87 PDE3B (0.48) MEN1KMT2ADRD4KDRMAPK14
Hydrochloric Acid SCHEMBL8921537 0.84 PDE3B (0.53) MEN1KMT2AMAPTOXTRALDH1A1
Hydrochloric Acid SCHEMBL7471638 0.83 MEN1 (0.46) MEN1KMT2ADRD4MAPK14CHIA
SCHEMBL8919087 0.80 DRD4 (0.42) MEN1KMT2ADRD4CHIAGRIN2D
Hydrochloric Acid SCHEMBL7470958 0.79 HTR2B (0.46) MEN1KMT2ADRD4MAPK14CHIA
SCHEMBL7476032 0.78 HRH4 (0.62) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL9206448 0.78 DRD4 (0.48) TSHRDRD4OXTRCHIAHPGD
SCHEMBL7284840 0.77 PDE3B (0.52) MEN1KMT2ADRD4MAPK14GRIN2D
Hydrochloric Acid SCHEMBL7470865 0.77 KMT2A (0.45) MEN1KMT2ADRD4CHIAALDH1A1
Hydrochloric Acid SCHEMBL8921226 0.77 DRD4 (0.47) TSHRDRD4OXTRCHIAHPGD

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