SCHEMBL7224677

SCHEMBL7224677

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
F10 P00742 18/20 0.43
F2 P00734 3/20 0.43

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
Hydrochloric Acid SCHEMBL7233032 0.99 F10 (0.43) MEN1GAAHTTRAB9AKMT2A
SCHEMBL7224322 0.93 CHRNA7 (0.40) MEN1GAAHTTRAB9AKMT2A
SCHEMBL7234416 0.90 F10 (0.37) MEN1GAAHTTRAB9AKMT2A
SCHEMBL7224323 0.90 MEN1 (0.38) MEN1GAAHTTRAB9AKMT2A
SCHEMBL7223199 0.84 HDAC6 (0.40) RAB9AKMT2ASMN1; SMN2
SCHEMBL7071352 0.84 ALDH1A1 (0.55) MEN1GAAHTTRAB9AKMT2A
SCHEMBL7225002 0.84 ALDH1A1 (0.55) MEN1GAAHTTRAB9AKMT2A
SCHEMBL7223510 0.84 NPC1 (0.52) MEN1RAB9AKMT2AF10
SCHEMBL7231972 0.83 ESRRG (0.46)
Hydrochloric Acid SCHEMBL7232683 0.83 ALDH1A1 (0.53) MEN1GAAHTTRAB9AKMT2A

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