SCHEMBL7225338

SCHEMBL7225338

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ncc(Oc2ccc(O)cc2)s1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
HTR4 Q13639 1/20 0.31
SLC6A3 Q01959 2/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
MAOB P27338 1/20 0.30
SLC8A1 P32418 2/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7231932 0.91 HTR4 (0.38) HTR4SLC6A3SLC6A2SLC6A4MAOB
SCHEMBL7223246 0.91 SLC6A3 (0.40) SCN9ASLC6A3SMN1; SMN2
SCHEMBL7223469 0.91 SLC6A2 (0.40) SCN9AHTR4SLC6A3SLC6A2SLC6A4
SCHEMBL7225932 0.91 SCN9A (0.32) SCN9ASLC8A1
SCHEMBL7234386 0.91 SLC6A4 (0.40) SLC6A3SLC6A2SLC6A4
SCHEMBL7231524 0.91 HTR3E (0.36) SLC8A1
SCHEMBL7231298 0.87 KMT2A (0.38) POLBSMN1; SMN2
SCHEMBL7116208 0.85 POLB (0.36) SCN9APOLBSMN1; SMN2
SCHEMBL7230910 0.83 SLC6A2 (0.40) SLC6A3SLC6A2SLC6A4
SCHEMBL7232332 0.83 SLC6A2 (0.40) HTR4SLC6A3SLC6A2SLC6A4MAOB

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