SCHEMBL7232105

SCHEMBL7232105

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1cnc(Oc2ccc(Cl)cc2)s1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC8A1 P32418 13/20 0.43
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
P2RX3 P56373 4/20 0.38

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
SCHEMBL7231617 0.90 SLC8A1 (0.48) SLC8A1
SCHEMBL7117176 0.84 SLC8A1 (0.38) SLC8A1
SCHEMBL7122435 0.84 CHRNA7 (0.36) SLC8A1SLC6A4SLC6A3
SCHEMBL7234386 0.83 SLC6A4 (0.40) CCNCCDK8SLC6A4SLC6A3
SCHEMBL7229535 0.83 SLC6A4 (0.40) CCNCCDK8SLC6A4SLC6A3
SCHEMBL7225066 0.82 SLC6A4 (0.41) CCNCCDK8SLC6A4SLC6A3
SCHEMBL7231198 0.82 SMN1; SMN2 (0.47) SLC6A4SLC6A3
SCHEMBL7222700 0.80 SLC6A4 (0.37) SLC6A4SLC6A3
SCHEMBL7125243 0.80 ALDH1A1 (0.38) SLC8A1SLC6A4SLC6A3
SCHEMBL7124966 0.80 SLC6A4 (0.46) SLC6A4SLC6A3

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