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SCHEMBL22757207

SCHEMBL22757207

CC(C)C(=O)[C@@H](OCNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CCCCCN1C(=O)CC(C(C)C)C1=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 7/20 0.40
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ HRH1 P35367 2/20 0.35
▸ FOLH1 Q04609 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL24342161 1.00 OPRL1 (0.40) OPRL1OPRD1OPRK1HRH1FOLH1
SCHEMBL24342125 1.00 OPRL1 (0.40) OPRL1OPRD1OPRK1HRH1FOLH1
SCHEMBL24342162 0.93 OPRL1 (0.39) OPRL1OPRD1OPRK1ALDH1A1SMN1; SMN2
SCHEMBL24342160 0.89 OPRL1 (0.40) OPRL1OPRD1OPRK1HRH1ALDH1A1
SCHEMBL21881719 0.86 OPRL1 (0.40) OPRL1OPRD1OPRK1FOLH1ALDH1A1
SCHEMBL21881720 0.86 OPRL1 (0.40) OPRL1OPRD1OPRK1FOLH1ALDH1A1
SCHEMBL23680116 0.86 OPRL1 (0.40) OPRL1OPRD1OPRK1FOLH1ALDH1A1
SCHEMBL25881766 0.85 OPRL1 (0.42) OPRL1OPRD1FOLH1ALDH1A1SMN1; SMN2
SCHEMBL25764635 0.85 OPRL1 (0.42) OPRL1OPRD1FOLH1ALDH1A1SMN1; SMN2
SCHEMBL27268254 0.85 OPRL1 (0.43) OPRL1OPRD1OPRK1FOLH1ALDH1A1

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-2020244657-A1 ANTI-B7-H4 ANTIBODY–DRUG CONJUGATE AND MEDICINAL USE THEREOF 上海翰森生物医药科技有限公司 2020-12-10 — — WO disclosed