SCHEMBL24968237

SCHEMBL24968237

C[C@@H]1CN(c2ncc(C(F)(F)F)cn2)[C@H](C)CN1C=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.39
ACACB O00763 1/20 0.34
TRPV4 Q9HBA0 2/20 0.33
CHRM2 P08172 5/20 0.32
CHRM1 P11229 4/20 0.32
TRPV1 Q8NER1 1/20 0.32
CHRM4 P08173 3/20 0.32
CHRM3 P20309 2/20 0.32
GPR119 Q8TDV5 1/20 0.31
HSD11B1 P28845 1/20 0.31
TIPARP Q7Z3E1 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SGPL1 O95470 1/20 0.30

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
SCHEMBL24968239 0.80 CHRM2 (0.43) CHRM2CHRM1CHRM4CHRM3
Hydrochloric Acid SCHEMBL31382032 0.78 CXCR3 (0.44) CXCR3ACACBTRPV4CHRM2CHRM1
SCHEMBL26087301 0.77 TRPV1 (0.43) CXCR3ACACBCHRM2CHRM1TRPV1
SCHEMBL29165925 0.77 TRPV1 (0.43) CXCR3ACACBCHRM2CHRM1TRPV1
SCHEMBL29165969 0.77 TRPV1 (0.43) CXCR3ACACBCHRM2CHRM1TRPV1
SCHEMBL27233838 0.77 TRPV1 (0.43) CXCR3ACACBCHRM2CHRM1TRPV1
SCHEMBL26089036 0.77 TRPV1 (0.43) CXCR3ACACBCHRM2CHRM1TRPV1
SCHEMBL23728061 0.77 TRPV1 (0.43) CXCR3ACACBCHRM2CHRM1TRPV1
SCHEMBL23744338 0.76 TRPV1 (0.42) CXCR3ACACBCHRM2CHRM1TRPV1
SCHEMBL26089136 0.76 TRPV1 (0.42) CXCR3ACACBCHRM2CHRM1TRPV1

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
WO-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 WO disclosed