SCHEMBL3633222

SCHEMBL3633222

C[C@@H](CN1CCC(n2c(=O)[nH]c3ncccc32)CC1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 11/20 0.49
DRD2 P14416 2/20 0.49
KCNH2 Q12809 1/20 0.49
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
OPRL1 P41146 1/20 0.47
TNKS O95271 3/20 0.47
TNKS2 Q9H2K2 1/20 0.47
PLD1 Q13393 2/20 0.45
PARP1 P09874 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
PLD2 O14939 1/20 0.43

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
SCHEMBL3636808 0.85 OPRM1 (0.65) DRD2KCNH2OPRM1OPRK1OPRL1
SCHEMBL3666702 0.85 OPRM1 (0.65) DRD2KCNH2OPRM1OPRK1OPRL1
SCHEMBL1837392 0.83 CALCRL (0.52) CALCRLTNKSPARP1PARP2
SCHEMBL1837386 0.83 CALCRL (0.52) CALCRLTNKSPARP1PARP2
SCHEMBL3639475 0.82 OPRM1 (0.61) OPRM1OPRK1OPRL1PLD1PLD2
SCHEMBL27092740 0.82 OPRM1 (0.69) CALCRLDRD2KCNH2DRD4DRD3
SCHEMBL14046378 0.80 DRD2 (0.56) CALCRLDRD2KCNH2OPRM1OPRK1
SCHEMBL3635861 0.80 OPRM1 (0.60) DRD2KCNH2DRD4DRD3OPRM1
SCHEMBL3636443 0.76 OPRM1 (0.47) DRD2DRD4DRD3OPRM1OPRK1
SCHEMBL13380149 0.76 CALCRL (0.56) CALCRLDRD2KCNH2OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2160098-A2 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS Commissariat a L'Energie Atomique (FR) 2010-03-10 EP disclosed
WO-2008146174-A2 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-12-04 WO disclosed