SCHEMBL7229845

SCHEMBL7229845

Cc1ccc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A2 P23975 2/20 0.42
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MMP13 P45452 2/20 0.33
POLB P06746 1/20 0.32
P2RY14 Q15391 1/20 0.32

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
SCHEMBL7225149 0.92 HTR4 (0.37) SLC6A3SLC6A4SLC6A2NPC1RAB9A
SCHEMBL7233323 0.90 ESR1 (0.37) SLC6A3SLC6A4SLC6A2
SCHEMBL7223301 0.90 MAPT (0.36) SLC6A4RAB9AMMP13
SCHEMBL7225066 0.89 SLC6A4 (0.41) SLC6A3SLC6A4SLC6A2
SCHEMBL7232095 0.89 CHRNA7 (0.34) SLC6A3SLC6A4SLC6A2
SCHEMBL7225381 0.89 HTR3E (0.37) SLC6A3SLC6A4SLC6A2NPC1MMP13
SCHEMBL7231735 0.88 MMP2 (0.36) POLBP2RY14
SCHEMBL7231868 0.88 SLC6A2 (0.41) SLC6A3SLC6A4SLC6A2
SCHEMBL7231419 0.88 SCN9A (0.37) SLC6A3SLC6A4SLC6A2NPC1RAB9A
SCHEMBL7224931 0.88 F2 (0.37) MMP13

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