SCHEMBL7356099

SCHEMBL7356099

Cc1cc(NC(=O)COc2ccc(C(F)(F)F)cc2)cc2ncn(CCCCN3CC=C(c4ccccc4)CC3)c12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.45
HTR2B P41595 3/20 0.45
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
PARP1 P09874 1/20 0.40
P2RY14 Q15391 1/20 0.40
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL7360194 0.93 MAPT (0.43) P2RY14LMNASMN1; SMN2
SCHEMBL7351996 0.93 ALDH1A1 (0.42) PARP1SMN1; SMN2
Hydrochloric Acid SCHEMBL7360641 0.91 PARP1 (0.42) MCHR1PPARGPPARAPARP1P2RY14
SCHEMBL7357135 0.91 KDM4E (0.42) PPARGPPARAP2RY14SMN1; SMN2
SCHEMBL7351818 0.89 ALDH1A1 (0.45) PPARGPPARAPARP1LMNASMN1; SMN2
SCHEMBL7355377 0.88 SMN1; SMN2 (0.44) MCHR1LMNAHTTSMN1; SMN2
SCHEMBL7360674 0.87 CYP2C19 (0.42) PARP1LMNASMN1; SMN2
SCHEMBL7354615 0.85 NOTUM (0.44) PARP1SMN1; SMN2
SCHEMBL7354626 0.85 KDM4E (0.43) PARP1LMNASMN1; SMN2
SCHEMBL7360192 0.84 KDM4E (0.42) PARP1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995003298-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS DOPAMINE RECEPTOR ANTAGONIST, 5-HT RECEPTOR AGONIST OR α1 RECEPTOR ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-02 WO disclosed