SCHEMBL31500341

SCHEMBL31500341

N#Cc1cccc(CNC2CC2)c1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ PRKCQ Q04759 1/20 0.35
▸ PRKCD Q05655 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ MCHR1 Q99705 1/20 0.34

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
SCHEMBL26599015 1.00 KDM4E (0.36) KDM4EPABPC1CD274OPRL1PRKCQ
SCHEMBL26599105 0.78 OPRL1 (0.35) KDM4EOPRL1PRKCQPRKCDMEN1
SCHEMBL18588937 0.78 MCL1 (0.38) KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL737133 0.78 P2RX7 (0.42) PABPC1OPRL1MEN1RAB9AKMT2A
SCHEMBL736271 0.76 GLA (0.53) PABPC1OPRL1MEN1KMT2AGLA
SCHEMBL28081756 0.74 SLC6A2 (0.49) KDM4EKDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL4171929 0.73 P2RX7 (0.48) —
SCHEMBL19234559 0.72 PNMT (0.39) —
SCHEMBL28803365 0.71 CFD (0.39) —
Hydrochloric Acid SCHEMBL25370715 0.71 PNMT (0.38) —

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
CN-119522208-A Effective methods for modulating NMDA receptor-mediated toxicity 智基药业有限公司 2025-02-25 — — CN disclosed
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