SCHEMBL8068970

SCHEMBL8068970

C=Cc1ccc(CN2CCC[C@H]2CNc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.44
SPHK2 Q9NRA0 3/20 0.41
SPHK1 Q9NYA1 3/20 0.41
OPRM1 P35372 5/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACHE P22303 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
SCHEMBL8068975 1.00 CCR2 (0.44) CCR2SPHK2SPHK1OPRM1OPRD1
SCHEMBL14626061 0.72 RAB9A (0.51) RAB9ASMN1; SMN2ACHE
SCHEMBL11462791 0.72 CCR2 (0.49) CCR2SPHK2SPHK1
SCHEMBL5378500 0.71 CASP3 (0.43) RAB9ASMN1; SMN2ACHE
SCHEMBL11459718 0.71 CCR2 (0.49) CCR2SPHK2SPHK1
SCHEMBL14591100 0.71 RAB9A (0.47) RAB9ASMN1; SMN2ACHE
SCHEMBL7552049 0.71 CXCR4 (0.56) CCR2SPHK2SPHK1
SCHEMBL14454201 0.70 CCR2 (0.48) CCR2SPHK2SPHK1
SCHEMBL252661 0.70 HRH3 (0.37) SPHK2SPHK1
SCHEMBL11455659 0.70 FAAH (0.52) SPHK2SPHK1OPRD1

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
JP-2000237595-A ASYMMETRIC DI- OR TRIAMINE CATALYST CARRIED ON POLYMER NISSAN CHEM IND LTD 2000-09-05 JP disclosed