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Sugi Predict / Compounds / SCHEMBL7204881

SCHEMBL7204881

SCHEMBL7204881

CCCCCN(C)CCCCCCO[C@H]1CC[C@H](N(C)C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 8/20 0.56
▸ CCR5 P51681 1/20 0.41
▸ MCHR1 Q99705 4/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ THRA P10827 2/20 0.37
▸ THRB P10828 2/20 0.37
▸ CCR3 P51677 1/20 0.36

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
SCHEMBL7204630 1.00 LSS (0.56) LSSCCR5MCHR1KCNH2HTR2C
SCHEMBL7204624 1.00 LSS (0.56) LSSCCR5MCHR1KCNH2HTR2C
SCHEMBL7204876 1.00 LSS (0.56) LSSCCR5MCHR1KCNH2HTR2C
SCHEMBL7209249 0.91 LSS (0.45) LSSMCHR1THRATHRB
SCHEMBL7212794 0.91 LSS (0.45) LSSMCHR1THRATHRB
SCHEMBL7212791 0.91 LSS (0.45) LSSMCHR1THRATHRB
SCHEMBL7209246 0.91 LSS (0.45) LSSMCHR1THRATHRB
SCHEMBL7206161 0.90 MCHR1 (0.47) LSSMCHR1
SCHEMBL7209094 0.90 MCHR1 (0.47) LSSMCHR1
SCHEMBL7209098 0.90 MCHR1 (0.47) LSSMCHR1

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-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 — — EP disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 — — WO disclosed