Sugi Predict

Sugi Predict / Compounds / SCHEMBL954975

SCHEMBL954975

SCHEMBL954975

Cc1nc(C(=O)N2CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC3(CCCC3)CC2CNc2ccc(Cl)cn2)c(-c2ccccc2)s1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 19/20 0.59
▸ HCRTR2 O43614 13/20 0.59
▸ CYP3A4 P08684 1/20 0.56

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
SCHEMBL951318 0.99 HCRTR1 (0.58) HCRTR1HCRTR2CYP3A4
SCHEMBL934571 0.97 HCRTR1 (0.59) HCRTR1HCRTR2CYP3A4
SCHEMBL935275 0.95 HCRTR1 (0.59) HCRTR1HCRTR2CYP3A4
SCHEMBL934698 0.94 CYP3A4 (0.62) HCRTR1HCRTR2CYP3A4
SCHEMBL935121 0.94 CYP3A4 (0.62) HCRTR1HCRTR2CYP3A4
SCHEMBL934699 0.94 CYP3A4 (0.62) HCRTR1HCRTR2CYP3A4
SCHEMBL951673 0.92 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL4547536 0.90 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL15058405 0.89 CYP3A4 (0.71) HCRTR1HCRTR2CYP3A4
SCHEMBL15058407 0.89 CYP3A4 (0.71) HCRTR1HCRTR2CYP3A4

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