SCHEMBL24968909

SCHEMBL24968909

Cc1cnc(N2C[C@@H](C)N(C(=O)OC(C)Cc3c[nH]c(=O)c(C(F)(F)F)c3)C[C@H]2C)nc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.37
AR P10275 12/20 0.34
WDR5 P61964 3/20 0.33
TRPV1 Q8NER1 1/20 0.32
CETP P11597 1/20 0.32
TIPARP Q7Z3E1 1/20 0.32

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
SCHEMBL24968245 1.00 GPR119 (0.37) GPR119ARWDR5TRPV1CETP
SCHEMBL24968926 1.00 GPR119 (0.37) GPR119ARWDR5TRPV1CETP
SCHEMBL24968906 1.00 GPR119 (0.37) GPR119ARWDR5TRPV1CETP
SCHEMBL24968948 0.93 GPR119 (0.37) GPR119ARTRPV1CETPTIPARP
SCHEMBL24968957 0.93 GPR119 (0.37) GPR119ARTRPV1CETPTIPARP
SCHEMBL24968238 0.93 GPR119 (0.37) GPR119ARTRPV1CETPTIPARP
SCHEMBL24968506 0.92 GPR119 (0.36) GPR119ARTRPV1CETP
SCHEMBL24968960 0.92 GPR119 (0.36) GPR119ARTRPV1CETP
SCHEMBL24968913 0.92 GPR119 (0.36) GPR119ARTRPV1CETP
SCHEMBL24968445 0.92 GPR119 (0.36) GPR119ARTRPV1CETP

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