SCHEMBL21781802

SCHEMBL21781802

CCNC(=O)CCCN1CCC(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)CC1C(F)(F)F

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 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
SCHEMBL21782049 0.82
SCHEMBL21768249 0.74 ALDH1A1 (0.37)
SCHEMBL21782043 0.74 ALDH1A1 (0.37)
SCHEMBL21768206 0.74 ALDH1A1 (0.37)
SCHEMBL21781739 0.69 CHRM1 (0.33)
SCHEMBL21781967 0.69 ALDH1A1 (0.30)
SCHEMBL23332591 0.65 MEN1 (0.49)
SCHEMBL21781965 0.64 EPHX2 (0.32)
SCHEMBL23726895 0.64 SMN1; SMN2 (0.38)
SCHEMBL30692762 0.63 KCNH2 (0.52)

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
EP-3617221-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME, AND PREPARATION METHOD THEREFOR Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP disclosed