SCHEMBL7446705

SCHEMBL7446705

COC1CC(C=O)N(Cc2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.42
▸ SIGMAR1 Q99720 2/20 0.42
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ CD274 Q9NZQ7 1/20 0.38
▸ HRH2 P25021 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
SCHEMBL5372095 0.81 MAPT (0.43) MAPTSIGMAR1
SCHEMBL9220204 0.80 MAPT (0.39) MAPTSIGMAR1CHRM2CHRM4CHRM5
SCHEMBL8832593 0.80 MAPT (0.39) MAPTSIGMAR1CHRM2CHRM4CHRM5
SCHEMBL8832969 0.80 MAPT (0.39) MAPTSIGMAR1CHRM2CHRM4CHRM5
SCHEMBL27616211 0.80 MAPT (0.60) MAPTSIGMAR1HRH2
SCHEMBL19290959 0.80 MAPT (0.60) MAPTSIGMAR1HRH2
SCHEMBL14012805 0.77 SIGMAR1 (0.51) MAPTSIGMAR1
SCHEMBL15593209 0.77 SIGMAR1 (0.51) MAPTSIGMAR1
SCHEMBL14012809 0.77 SIGMAR1 (0.51) MAPTSIGMAR1
SCHEMBL28007890 0.76 MAPT (0.41) MAPTSIGMAR1CHRM2CHRM4CHRM5

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-0918768-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C Research Laboratories (KR) 1999-06-02 — — EP disclosed
WO-1997045424-A1 AROMATIC AMIDINE DERIVATIVES USEFUL AS SELECTIVE THROMBIN INHIBITORS C & C RESEARCH LABORATORIES (KR) 1997-12-04 — — WO disclosed
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