SCHEMBL7230337

SCHEMBL7230337

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1cnc(-c2ccccc2Cl)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 2/20 0.49
MAPK14 Q16539 2/20 0.49
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRNA7 P36544 1/20 0.40
USP30 Q70CQ3 1/20 0.39
F10 P00742 1/20 0.37
CNR1 P21554 1/20 0.36
HDAC1 Q13547 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
MAPK13 O15264 1/20 0.35

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
SCHEMBL7075331 0.89 USP30 (0.39) MAPK11MAPK14NPC1RAB9AALDH1A1
SCHEMBL7234311 0.89 USP30 (0.39) MAPK11MAPK14NPC1RAB9AMEN1
SCHEMBL7226023 0.88 USP30 (0.41) MAPK11MAPK14USP30HDAC1HTR3E
Hydrochloric Acid SCHEMBL7077995 0.88 USP30 (0.39) MAPK11MAPK14NPC1RAB9AALDH1A1
SCHEMBL7233186 0.88 USP30 (0.39) MAPK11MAPK14USP30F10HDAC1
SCHEMBL7225952 0.88 MAPK14 (0.45) MAPK11MAPK14NPC1RAB9AALDH1A1
SCHEMBL7225473 0.86 MAPK11 (0.42) MAPK11MAPK14USP30F10HDAC1
SCHEMBL7231086 0.85 USP30 (0.43) MAPK11MAPK14USP30F10HTR3E
SCHEMBL7233270 0.85 HDAC3 (0.48) MAPK11MAPK14NPC1RAB9AALDH1A1
SCHEMBL7071274 0.85 USP30 (0.53) NPC1RAB9AMEN1KMT2AALDH1A1

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