SCHEMBL9465102

SCHEMBL9465102

Cc1nc(-c2cccc(Cl)c2)nn(C(C)N2CCOCC2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AVPR1B P47901 6/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ CNR2 P34972 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ GRM5 P41594 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PIN1 Q13526 1/20 0.37

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
SCHEMBL9464843 0.88 ALDH1A1 (0.42) AVPR1BALDH1A1CNR2NPC1RAB9A
SCHEMBL9464986 0.87 LIPE (0.46) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL9465625 0.87 GAA (0.44) ALDH1A1MEN1LMNAKMT2ATSHR
SCHEMBL9465242 0.83 AVPR1B (0.40) AVPR1BALDH1A1MEN1LMNAKMT2A
SCHEMBL9464652 0.79 ADRA1A (0.41) AVPR1BALDH1A1NPC1RAB9AKDM4E
SCHEMBL9465107 0.77 AVPR1B (0.53) AVPR1BADORA2AADORA1KDM4EMEN1
SCHEMBL9464971 0.75 LIPE (0.45) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL9464961 0.74 HTT (0.39) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL9465656 0.74 PRKDC (0.42) AVPR1BALDH1A1NPC1RAB9AADORA2A
SCHEMBL9465004 0.73 MAPT (0.41) AVPR1BALDH1A1KDM4EMEN1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5254548-A Treating dysfunction of cholinergic system ADIR ET COMPAGNIE (FR) 1993-10-19 — — US disclosed
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