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SCHEMBL4721024

SCHEMBL4721024

CC(=O)NC1CCN(c2ccc(C(F)(F)F)c(-n3nc(-c4cc(C)cc(C)c4)c4c(c3=O)N(CC(N)=O)CC4)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMPD3 Q9NY59 10/20 0.37
▸ SYK P43405 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ FPR1 P21462 1/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ ITGB2 P05107 2/20 0.33
▸ ICAM1 P05362 2/20 0.33
▸ ITGAL P20701 2/20 0.33
▸ CREBBP Q92793 2/20 0.33
▸ SMPD2 O60906 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
SCHEMBL4721019 1.00 SMPD3 (0.37) SMPD3SYKTRPV1FPR1FPR2
SCHEMBL4724885 0.94 SMPD3 (0.37) SMPD3SYKTRPV1FPR1FPR2
SCHEMBL4724899 0.94 SMPD3 (0.37) SMPD3SYKTRPV1FPR1FPR2
SCHEMBL14102048 0.93 SMPD3 (0.36) SMPD3SYKTRPV1FPR1FPR2
SCHEMBL4719074 0.92 SMPD3 (0.38) SMPD3SYKTRPV1FPR1FPR2
SCHEMBL4719071 0.92 SMPD3 (0.38) SMPD3SYKTRPV1FPR1FPR2
SCHEMBL4720193 0.90 SMPD3 (0.38) SMPD3SYKTRPV1FPR1FPR2
SCHEMBL4720195 0.90 SMPD3 (0.38) SMPD3SYKTRPV1FPR1FPR2
SCHEMBL4720480 0.90 P2RX7 (0.37) —
SCHEMBL4720477 0.90 P2RX7 (0.37) —

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 — — EP disclosed