SCHEMBL10916456

SCHEMBL10916456

CCCCCSCCN1CCN(C(=O)OC(I)c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 1/20 0.45
▸ HRH2 P25021 3/20 0.42
▸ HRH1 P35367 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ TSHR P16473 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ OPRM1 P35372 2/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ OPRD1 P41143 1/20 0.38
▸ HRH3 Q9Y5N1 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
SCHEMBL9633842 0.79 TNKS (0.52) HRH2HRH1OPRM1ADORA3HTR2A
SCHEMBL28015716 0.77 CHRM3 (0.58) CHRM3HRH2HRH1ALDH1A1KDM4E
SCHEMBL28286998 0.68 GAA (0.54) CHRM3HRH2HRH1GAA
SCHEMBL9292241 0.68 CHRM3 (0.67) CHRM3HRH2HRH1OPRM1PKM
SCHEMBL11106836 0.68 NPC1 (0.52) ALDH1A1TSHRGAA
SCHEMBL3864848 0.66 CHRM3 (0.62) CHRM3PKM
SCHEMBL27629467 0.66 SIGMAR1 (0.56) HRH2HRH1OPRM1ADORA3HTR2A
SCHEMBL28015708 0.66 SLC6A4 (0.45) CHRM3ALDH1A1KDM4ETSHRSIGMAR1
SCHEMBL28015740 0.66 SLC6A4 (0.47) HRH1ALDH1A1KDM4ETSHR
SCHEMBL5546140 0.65 GRIN2B (0.47) HRH2HRH1ALDH1A1KDM4ETSHR

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-0166509-A1 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-02 — — EP disclosed
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