SCHEMBL22945414

SCHEMBL22945414

NC(=O)C(=O)[C@H](Cc1cccc(NC(=O)C(=O)C(Cc2ccccc2)NC(=O)c2nsnc2-c2ccc(F)cc2)c1)NC(=O)c1nsnc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 15/20 0.44
▸ MGLL Q99685 1/20 0.39
▸ ACKR3 P25106 1/20 0.39
▸ PTGIR P43119 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ PTGER2 P43116 1/20 0.38

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
SCHEMBL22886096 0.89 CAPN1 (0.51) CAPN1
SCHEMBL20028068 0.87 CAPN1 (0.48) CAPN1
SCHEMBL20027848 0.84 CAPN1 (0.46) CAPN1
SCHEMBL20028431 0.84 CAPN1 (0.53) CAPN1
SCHEMBL21854063 0.84 CAPN1 (0.53) CAPN1
SCHEMBL20028398 0.81 CAPN1 (0.45) CAPN1
SCHEMBL21854216 0.79 CAPN1 (0.52) CAPN1
SCHEMBL22886539 0.79 ALDH1A1 (0.42) CAPN1
SCHEMBL20027849 0.79 CAPN1 (0.48) CAPN1
SCHEMBL22896350 0.79 CAPN1 (0.46) CAPN1

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-2021021816-A1 CALPAIN INHIBITORS AND USES THEREOF FOR TREATING NEUROLOGICAL DISORDERS BLADE THERAPEUTICS, INC. (US) 2021-02-04 — — WO disclosed
Send feedback