Sugi Predict

Sugi Predict / Compounds / SCHEMBL954062

SCHEMBL954062

SCHEMBL954062

Cc1nc(C(=O)N2CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC3(CC3)CC2CNc2ccc(C(F)(F)F)cn2)c(-c2ccccc2)s1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 18/20 0.70
▸ HCRTR2 O43614 11/20 0.70
▸ CYP3A4 P08684 2/20 0.61

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
SCHEMBL16168083 0.96 HCRTR1 (0.71) HCRTR1HCRTR2CYP3A4
SCHEMBL933943 0.95 HCRTR1 (0.71) HCRTR1HCRTR2CYP3A4
SCHEMBL933268 0.95 HCRTR1 (0.73) HCRTR1HCRTR2CYP3A4
SCHEMBL933966 0.95 HCRTR1 (0.73) HCRTR1HCRTR2CYP3A4
SCHEMBL934251 0.90 HCRTR1 (0.67) HCRTR1HCRTR2CYP3A4
SCHEMBL15057738 0.90 CYP3A4 (0.74) HCRTR1HCRTR2CYP3A4
SCHEMBL15057739 0.90 CYP3A4 (0.74) HCRTR1HCRTR2CYP3A4
SCHEMBL933821 0.90 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL951318 0.89 HCRTR1 (0.58) HCRTR1HCRTR2CYP3A4
SCHEMBL933941 0.88 HCRTR1 (0.70) HCRTR1HCRTR2

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-2454252-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION Rottapharm S.p.A. (IT) 2012-05-23 — — EP disclosed
WO-2011006960-A1 SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION ROTTAPHARM S.P.A. (IT) 2011-01-20 — — WO disclosed