SCHEMBL7225273

SCHEMBL7225273

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Sc2cc(Cl)ccn2)s1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
AKT1 P31749 1/20 0.32
CHRNA7 P36544 2/20 0.31
ANO1 Q5XXA6 5/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL7233041 0.86 SLC6A4 (0.34) SLC6A4SLC6A3AKT1CHRNA7
SCHEMBL7224430 0.86 CHRNA7 (0.40) GRM5CHRNA7NPC1RAB9ASMN1; SMN2
SCHEMBL7224957 0.86 TAS1R3 (0.36) SLC6A4SLC6A3CHRNA7
SCHEMBL7226168 0.83 HSD17B1 (0.37) GRM5SLC6A4SLC6A3
SCHEMBL7232950 0.83 CHRNA7 (0.42) AKT1CHRNA7NPC1RAB9ASMN1; SMN2
SCHEMBL7234021 0.83 SLC6A3 (0.39) SLC6A4SLC6A3AKT1CHRNA7RAB9A
SCHEMBL7224100 0.83 USP7 (0.33) SLC6A4SLC6A3AKT1
SCHEMBL7234073 0.83 CHRNB2 (0.34) SLC6A4SLC6A3AKT1CHRNA7NPC1
SCHEMBL7224323 0.83 MEN1 (0.38) RAB9ASMN1; SMN2
SCHEMBL7225018 0.82 SLC6A4 (0.33) SLC6A4SLC6A3AKT1CHRNA7

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