SCHEMBL31576136

SCHEMBL31576136

O=C(Cl)CC1CN(c2ccnc(C(F)(F)F)c2)C1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.57
CHRM2 P08172 2/20 0.57
ACACB O00763 2/20 0.47
PARP1 P09874 1/20 0.41
AR P10275 1/20 0.40
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 0.39
PI4KB Q9UBF8 1/20 0.39
CYP17A1 P05093 3/20 0.38
CHRM1 P11229 1/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PIM1 P11309 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
SCHEMBL21812177 0.88 CHRM4 (0.58) CHRM4CHRM2ACACBPARP1AR
SCHEMBL29839997 0.88 CHRM4 (0.58) CHRM4CHRM2ACACBPARP1AR
Lithium Ion SCHEMBL31016551 0.86 CHRM4 (0.56) CHRM4CHRM2ACACBPARP1AR
SCHEMBL27330228 0.85 CHRM4 (0.55) CHRM4CHRM2ACACBPARP1AR
Water SCHEMBL31647750 0.85 CHRM4 (0.55) CHRM4CHRM2ACACBPARP1AR
SCHEMBL21847696 0.82 CHRM4 (0.57) CHRM4CHRM2ACACBPARP1AR
SCHEMBL31581478 0.82 CHRM4 (0.51) CHRM4CHRM2ACACBPARP1AR
SCHEMBL29496276 0.81 CHRM4 (0.52) CHRM4CHRM2ACACBPARP1PDE4B
Fluoride Ion SCHEMBL31647774 0.80 CHRM4 (0.55) CHRM4CHRM2ACACBPARP1AR
SCHEMBL31614779 0.78 ACACB (0.48) CHRM4CHRM2ACACBPARP1AR

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-120020134-A Heterocyclic carbonyl derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2025-05-20 CN disclosed