SCHEMBL9058464

SCHEMBL9058464

CCCCNC1NCCCS1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.35
GNAO1 P09471 2/20 0.35
GNAI1 P63096 2/20 0.35
PRCP P42785 1/20 0.33
FUCA1 P04066 1/20 0.31

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
SCHEMBL9054939 0.89
SCHEMBL9055426 0.81 KMT2A (0.34)
SCHEMBL9053756 0.81
SCHEMBL9053916 0.77 L3MBTL1 (0.31)
SCHEMBL9056287 0.74
SCHEMBL11283062 0.69 ALDH1A1 (0.41) PRCP
SCHEMBL2270943 0.68 PRCP (0.42) GNAI3GNAO1GNAI1PRCPFUCA1
SCHEMBL11279278 0.67
SCHEMBL11279080 0.66
SCHEMBL11214480 0.66 GNAI3 (0.47) GNAI3GNAO1GNAI1PRCPFUCA1

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
WO-1996014842-A1 SUBSTITUTED HETEROCYCLES AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-05-23 WO claimed