SCHEMBL31381882

SCHEMBL31381882

C[C@H]1CN(C(=O)C2CN(C(=O)OC(C)(C)C)C2)CCN1c1ncc(C(F)(F)F)cn1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 16/20 0.52
▸ KCNH2 Q12809 1/20 0.42
▸ TRPV4 Q9HBA0 2/20 0.41
▸ SMARCA2 P51531 1/20 0.40
▸ SMARCA4 P51532 1/20 0.40
▸ PBRM1 Q86U86 1/20 0.40
▸ CXCR3 P49682 1/20 0.40

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
SCHEMBL31382017 0.93 GPR119 (0.54) GPR119KCNH2SMARCA2SMARCA4PBRM1
SCHEMBL28966566 0.92 GPR119 (0.59) GPR119KCNH2TRPV4SMARCA2SMARCA4
SCHEMBL24962981 0.92 GPR119 (0.59) GPR119KCNH2TRPV4SMARCA2SMARCA4
SCHEMBL24963667 0.92 GPR119 (0.59) GPR119KCNH2TRPV4SMARCA2SMARCA4
SCHEMBL30859784 0.85 GPR119 (0.50) GPR119
SCHEMBL17145 0.83 GPR119 (0.56) GPR119KCNH2SMARCA2SMARCA4PBRM1
SCHEMBL31381905 0.83 TRPV4 (0.42) GPR119KCNH2TRPV4CXCR3
SCHEMBL31713163 0.82 GPR119 (0.60) GPR119KCNH2SMARCA2SMARCA4PBRM1
SCHEMBL12089264 0.82 GPR119 (0.60) GPR119KCNH2SMARCA2SMARCA4PBRM1
SCHEMBL31713185 0.82 GPR119 (0.57) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025045246-A1 PARP7 INHIBITOR AND USE THEREOF 重庆华森英诺生物科技有限公司 2025-03-06 — — WO disclosed
CN-119330972-A PARP7 inhibitor and application thereof 重庆华森英诺生物科技有限公司 2025-01-21 — — CN disclosed
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