SCHEMBL4678001

SCHEMBL4678001

CCC(C1CC(n2c(C(F)(F)F)nc3ccccc32)CCN1C(=O)O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 4/20 0.42
▸ CCR5 P51681 2/20 0.41
▸ OGFRL1 Q5TC84 5/20 0.37
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ OPRM1 P35372 3/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ LMNA P02545 1/20 0.34

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
SCHEMBL4678008 0.85 FPR2 (0.43) FPR2CCR5OGFRL1POLBMAPT
SCHEMBL4678005 0.85 FPR2 (0.43) FPR2CCR5OGFRL1POLBMAPT
SCHEMBL4682261 0.80 DRD2 (0.44) FPR2CCR5OPRM1CYP2C9
SCHEMBL4674480 0.80 ALDH1A1 (0.44) CCR5MAPTCYP2D6CYP2C19
SCHEMBL4675596 0.79 CYP3A4 (0.40) OPRM1OPRK1
SCHEMBL4678002 0.78 CCR5 (0.42) FPR2CCR5OGFRL1POLBMAPT
SCHEMBL4676160 0.78 HSD11B1 (0.45) POLB
SCHEMBL3803735 0.78 OPRM1 (0.49) OPRM1OPRK1CYP2D6CYP2C9
SCHEMBL4674536 0.76 PTGDR2 (0.35) OPRM1OPRK1
SCHEMBL4681956 0.74 OPRL1 (0.48) OPRM1OPRK1

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
EP-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 — — EP disclosed
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