SCHEMBL30550713

SCHEMBL30550713

CC(CCCn1ccc2cc(-c3ccc(C(F)(F)F)cn3)ccc2c1=O)Nc1cnn(COCC[Si](C)(C)C)c(=O)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 12/20 0.41
▸ DGAT1 O75907 2/20 0.31
▸ MCHR1 Q99705 2/20 0.31
▸ BRD4 O60885 1/20 0.30
▸ GRM2 Q14416 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
SCHEMBL30550711 1.00 TIPARP (0.41) TIPARPDGAT1MCHR1BRD4GRM2
SCHEMBL25321245 1.00 TIPARP (0.41) TIPARPDGAT1MCHR1BRD4GRM2
SCHEMBL30550644 0.92 TIPARP (0.45) TIPARPDGAT1GRM2
SCHEMBL25320156 0.92 TIPARP (0.45) TIPARPDGAT1GRM2
SCHEMBL25320149 0.92 TIPARP (0.45) TIPARPDGAT1GRM2
SCHEMBL31058417 0.85 TIPARP (0.41) TIPARPDGAT1
SCHEMBL25322428 0.82 TIPARP (0.59) TIPARP
SCHEMBL25320452 0.82 TIPARP (0.59) TIPARP
SCHEMBL25318306 0.82 TIPARP (0.59) TIPARP
SCHEMBL30550706 0.82 TIPARP (0.59) TIPARP

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
EP-4469448-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2024-12-04 — — EP disclosed
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — WO disclosed
Send feedback