SCHEMBL6676496

SCHEMBL6676496

CCCCC(c1cccc2c1Cc1ccccc1-2)c1cccc2c1Cc1ccccc1-2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.44
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SIGMAR1 Q99720 2/20 0.35
HTR7 P34969 2/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR2B P41595 1/20 0.34
EGFR P00533 1/20 0.34
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33

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
SCHEMBL6674618 0.95 PNMT (0.43) PNMTNPC1RAB9ASIGMAR1HTR7
SCHEMBL6675789 0.91 PNMT (0.46) PNMTNPC1RAB9AHTR7ADORA2A
SCHEMBL6673438 0.87 PNMT (0.37) PNMTNPC1RAB9ASIGMAR1DRD2
SCHEMBL28565431 0.87 PNMT (0.43) PNMTNPC1RAB9ASIGMAR1HTR7
SCHEMBL4556624 0.87 PNMT (0.43) PNMTNPC1RAB9ASIGMAR1HTR7
SCHEMBL5343063 0.85 PNMT (0.45) PNMTNPC1RAB9ASIGMAR1HTR7
SCHEMBL1610539 0.85 PNMT (0.42) PNMTNPC1RAB9ASIGMAR1HTR7
SCHEMBL8676244 0.84 PNMT (0.41) PNMTNPC1RAB9ASIGMAR1HTR7
SCHEMBL6674901 0.84 PNMT (0.49) PNMTNPC1RAB9AHTR7ADORA2A
SCHEMBL21449058 0.84 NPC1 (0.43) PNMTNPC1RAB9AHTR7HTR2B

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
EP-0963990-B1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL CO (JP) 2004-10-06 EP disclosed
US-6197990-B1 REACTING CYCLOPENTADIENE AND METAL HYDRIDE IN PRESENCE OF AMINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-06 US disclosed
EP-0963990-A1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-12-15 EP disclosed