SCHEMBL7488941

SCHEMBL7488941

CNC(NCC1CN(Cc2ccc(F)cc2)CCO1)C(C#N)C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 17/20 0.50
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CYP2C9 P11712 1/20 0.43
ADRA2B P18089 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
CYP2C19 P33261 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH2 Q12809 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MOGAT2 Q3SYC2 2/20 0.42
MGAT2 Q10469 1/20 0.42

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
SCHEMBL7498335 0.91 DRD4 (0.52) DRD4CYP1A2CYP3A4CYP2C9
SCHEMBL7495891 0.90 DRD4 (0.50) DRD4MEN1LMNACYP1A2CYP3A4
SCHEMBL7497767 0.89 DRD4 (0.52) DRD4CYP1A2CYP3A4CYP2C9DRD3
SCHEMBL7493202 0.89 DRD4 (0.47) DRD4MEN1LMNACYP1A2CYP3A4
SCHEMBL7501988 0.89 DRD4 (0.50) DRD4DRD3MOGAT2
SCHEMBL7502764 0.88 DRD4 (0.50) DRD4
SCHEMBL7498678 0.88 DRD4 (0.57) DRD4DRD3
SCHEMBL7497797 0.88 DRD4 (0.46) DRD4CYP1A2CYP3A4CYP2C9DRD3
SCHEMBL7495139 0.88 DRD4 (0.40) DRD4CYP1A2CYP3A4CYP2C9DRD3
SCHEMBL7493908 0.86 DRD4 (0.54) DRD4CYP1A2CYP3A4CYP2C9DRD3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760362-B1 DIAMINOMETHYLIDENE DERIVATIVE NISSHIN SEIFUN GROUP INC (JP) 2002-08-14 EP disclosed
EP-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
EP-0760362-A1 NOVEL DIAMINOMETHYLIDENE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed