SCHEMBL7225137

SCHEMBL7225137

Cc1cccc(Sc2cnc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.35
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
SYK P43405 1/20 0.33
ITK Q08881 5/20 0.33
NTRK1 P04629 2/20 0.33
HCRTR1 O43613 1/20 0.33
PIK3CA P42336 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
USP30 Q70CQ3 1/20 0.32

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
SCHEMBL7225336 0.89 GRM5 (0.34) GRM5HCRTR1PIK3CA
SCHEMBL7231547 0.89 CHRNB2 (0.36) GRM5HCRTR1
SCHEMBL7224375 0.88 SLC6A2 (0.38) ICAM1SELEITKKMT2AMEN1
SCHEMBL7223713 0.88 CHRNA7 (0.34) ITKUSP30
SCHEMBL7224292 0.88 MAOA (0.38) GRM5SYKHCRTR1PIK3CASLC6A2
SCHEMBL7231206 0.85 HSD17B1 (0.37) GRM5ICAM1SELEHCRTR1SLC6A2
SCHEMBL7225406 0.83 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL7232139 0.83 USP30 (0.32) ICAM1SELESLC6A2SLC6A4SLC6A3
SCHEMBL7232164 0.82 SLC6A2 (0.32) KMT2AMEN1SLC6A2SLC6A4SLC6A3
SCHEMBL7226063 0.82 SLC6A3 (0.38) SLC6A2SLC6A4SLC6A3

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
US-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 US claimed
US-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 US disclosed