SCHEMBL30166814

SCHEMBL30166814

O=C1[C@H](C2CC2)[C@H](c2c(F)cc(-n3cc(C(F)(F)F)cn3)cc2F)N1c1ccc2[nH]cnc2c1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 19/20 0.40
▸ CTSK P43235 1/20 0.35
▸ CTSC P53634 1/20 0.35

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
SCHEMBL26830087 1.00 QPCT (0.40) QPCTCTSKCTSC
SCHEMBL24814421 1.00 QPCT (0.40) QPCTCTSKCTSC
SCHEMBL24814330 1.00 QPCT (0.40) QPCTCTSKCTSC
SCHEMBL25709729 0.94 QPCT (0.38) QPCTCTSKCTSC
SCHEMBL24816735 0.94 QPCT (0.37) QPCT
SCHEMBL26825952 0.89 QPCT (0.35) QPCT
SCHEMBL26824956 0.89 QPCT (0.35) QPCT
SCHEMBL24815542 0.87 QPCT (0.40) QPCT
SCHEMBL24814369 0.87 QPCT (0.40) QPCT
SCHEMBL24815541 0.87 QPCT (0.40) QPCT

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
CN-118019737-A Beta-lactam derivatives for the treatment of diseases 英矽智能科技知识产权有限公司 2024-05-10 — — CN disclosed
EP-4359405-A1 BETA-LACTAM DERIVATIVES FOR THE TREATMENT OF DISEASES Insilico Medicine IP Limited (HK) 2024-05-01 — — EP disclosed
WO-2022268179-A1 BETA-LACTAM DERIVATIVES FOR THE TREATMENT OF DISEASES INSILICO MEDICINE IP LIMITED (CN) 2022-12-29 — — WO disclosed
Send feedback