SCHEMBL7225932

SCHEMBL7225932

Nc1ccc(Oc2cnc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.32
CHRNB2 P17787 5/20 0.32
CHRNA4 P43681 5/20 0.32
SLC8A1 P32418 2/20 0.31
CHRNA7 P36544 3/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
HPGD P15428 1/20 0.31
CHRND Q07001 1/20 0.31
CHRNA2 Q15822 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL7225338 0.91 SCN9A (0.33) SCN9ASLC8A1
SCHEMBL7223246 0.90 SLC6A3 (0.40) SCN9A
SCHEMBL7223469 0.90 SLC6A2 (0.40) SCN9A
SCHEMBL7231932 0.90 HTR4 (0.38) MEN1KMT2A
SCHEMBL7234386 0.90 SLC6A4 (0.40) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL7231524 0.90 HTR3E (0.36) SLC8A1
SCHEMBL7231298 0.86 KMT2A (0.38) ALDH1A1MEN1KMT2AHPGDTDP1
SCHEMBL7116208 0.84 POLB (0.36) SCN9A
SCHEMBL7232095 0.83 CHRNA7 (0.34) SLC8A1CHRNA7ALDH1A1HPGD
SCHEMBL7232332 0.82 SLC6A2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3

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