SCHEMBL7224694

SCHEMBL7224694

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ncc(Sc2cc(F)cc(F)c2)o1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.33
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
ACKR3 P25106 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
ITGA5 P08648 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRND Q07001 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
SCHEMBL7232697 0.91 KDM4C (0.35) SLC6A3CHRNB2CHRNA4ACKR3
SCHEMBL7225963 0.90 SLC6A3 (0.39) SLC6A3ACKR3SLC6A2SLC6A4
SCHEMBL7226264 0.88 SLC6A3 (0.33) SLC6A3CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL7223814 0.87 SLC6A3 (0.33) SLC6A3CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL7226364 0.86 HTR3E (0.35) SLC6A3CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL7232640 0.85 ACKR3 (0.37) SLC6A3ACKR3SLC6A2SLC6A4
SCHEMBL7231748 0.84 SLC6A4 (0.39) SLC6A3CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL7224696 0.83 SLC6A3 (0.40) SLC6A3CHRNB2CHRNA4SLC6A2SLC6A4
SCHEMBL7224680 0.83 CHRNB2 (0.36) SLC6A3CHRNB2CHRNA4SLC6A4
SCHEMBL7225896 0.82 CA12 (0.39) SLC6A3CHRNB2CHRNA4ACKR3SLC6A2

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