SCHEMBL4679682

SCHEMBL4679682

C[C@@H](COC(=O)N1CCC(n2c(C(F)(F)F)nc3ccccc32)CC1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 2/20 0.47
▸ CCR5 P51681 2/20 0.42
▸ LMNA P02545 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ OPRM1 P35372 2/20 0.37
▸ OGFRL1 Q5TC84 2/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ BRD4 O60885 1/20 0.37

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
SCHEMBL4679688 1.00 FPR2 (0.47) FPR2CCR5LMNASMN1; SMN2TSHR
SCHEMBL3745057 0.88 LMNA (0.53) FPR2CCR5LMNASMN1; SMN2TSHR
SCHEMBL3745050 0.88 LMNA (0.53) FPR2CCR5LMNASMN1; SMN2TSHR
SCHEMBL3742103 0.87 LMNA (0.41) FPR2CCR5LMNASMN1; SMN2TSHR
SCHEMBL3742093 0.87 LMNA (0.41) FPR2CCR5LMNASMN1; SMN2TSHR
SCHEMBL3751317 0.86 BRD4 (0.48) FPR2CCR5LMNASMN1; SMN2TSHR
SCHEMBL3751321 0.86 BRD4 (0.48) FPR2CCR5LMNASMN1; SMN2TSHR
SCHEMBL4801360 0.83 FPR2 (0.37) FPR2CCR5SMN1; SMN2TSHRALDH1A1
SCHEMBL4678005 0.80 FPR2 (0.43) FPR2CCR5LMNAMAPTMEN1
SCHEMBL4678008 0.80 FPR2 (0.43) FPR2CCR5LMNAMAPTMEN1

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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