SCHEMBL10995246

SCHEMBL10995246

CCc1cccc(CC)c1NC(=O)N=C1SCCN1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.60
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ CACNA1C Q13936 2/20 0.39
▸ SCN5A Q14524 2/20 0.39
▸ NLRP3 Q96P20 1/20 0.39
▸ CYP2C19 P33261 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35

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
SCHEMBL10995242 1.00 GRM5 (0.60) GRM5ALDH1A1KDM4ECACNA1CSCN5A
SCHEMBL10997158 0.93 GRM5 (0.56) GRM5ALDH1A1NLRP3TDP1POLB
SCHEMBL10997160 0.93 GRM5 (0.56) GRM5ALDH1A1NLRP3TDP1POLB
SCHEMBL10993124 0.84 GRM5 (0.62) GRM5ALDH1A1KDM4ECYP2C19TDP1
SCHEMBL10993126 0.84 GRM5 (0.62) GRM5ALDH1A1KDM4ECYP2C19TDP1
SCHEMBL10989017 0.83 GRM5 (0.68) GRM5ALDH1A1KDM4ENLRP3CYP3A4
SCHEMBL10996908 0.83 GRM5 (0.61) GRM5ALDH1A1KDM4ENLRP3CYP2C19
SCHEMBL10989034 0.83 GRM5 (0.68) GRM5ALDH1A1KDM4ENLRP3CYP3A4
SCHEMBL10996903 0.83 GRM5 (0.61) GRM5ALDH1A1KDM4ENLRP3CYP2C19
SCHEMBL10989727 0.83 GRM5 (0.61) GRM5ALDH1A1KDM4ECYP3A4POLB

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
US-4542144-A EPILEPSY MCNEILAB INC. (US) 1985-09-17 — — US claimed
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