SCHEMBL30550753

SCHEMBL30550753

C[C@H](N)CC(Cn1ccc2cc(Br)c(F)cc2c1=O)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 13/20 0.36
▸ HTR2A P28223 11/20 0.36
▸ APLNR P35414 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ PSMB1 P20618 3/20 0.31
▸ PSMB5 P28074 3/20 0.31

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
SCHEMBL25320684 1.00 HTR2C (0.36) HTR2CHTR2AAPLNRCYP1A2CYP3A4
SCHEMBL25320682 1.00 HTR2C (0.36) HTR2CHTR2AAPLNRCYP1A2CYP3A4
SCHEMBL25321744 0.84 AAK1 (0.35) APLNRPSMB1PSMB5
SCHEMBL25321749 0.84 AAK1 (0.35) APLNRPSMB1PSMB5
SCHEMBL31058397 0.84 AAK1 (0.35) APLNRPSMB1PSMB5
SCHEMBL31362912 0.79 HTR2C (0.42) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL25320614 0.75 TIPARP (0.34) —
SCHEMBL25321537 0.73 HDAC3 (0.37) PSMB1PSMB5
SCHEMBL25321540 0.73 HDAC3 (0.37) PSMB1PSMB5
SCHEMBL31388974 0.72 PSMB1 (0.36) HTR2CHTR2APSMB1PSMB5

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 3 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
CN-118591537-A PARP7 inhibitors 吉利德科学公司 2024-09-03 — — CN disclosed
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — WO disclosed
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