SCHEMBL7224375

SCHEMBL7224375

Cc1ccc(Sc2cnc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ICAM1 P05362 2/20 0.31
SELE P16581 2/20 0.31
VCAM1 P19320 2/20 0.31
CNR1 P21554 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
ITK Q08881 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
SCHEMBL7225406 0.91 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL7226063 0.90 SLC6A3 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL7232894 0.90 SLC6A4 (0.38) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7232164 0.90 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7223713 0.90 CHRNA7 (0.34) ITK
SCHEMBL7226487 0.89 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CNR1
SCHEMBL7225137 0.88 GRM5 (0.35) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7224609 0.88 CRBN (0.34) SLC6A2SLC6A4SLC6A3ITK
SCHEMBL7115100 0.86 CHRNA7 (0.36) SLC6A2SLC6A4SLC6A3ITK
SCHEMBL7122496 0.85 CHRNA7 (0.35) SLC6A2SLC6A4SLC6A3ITK

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