SCHEMBL23417784

SCHEMBL23417784

CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(C)=O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 6/20 0.58
▸ NPBWR1 P48145 2/20 0.55
▸ IL23R Q5VWK5 9/20 0.54
▸ KISS1R Q969F8 2/20 0.52

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
SCHEMBL23417933 0.93 NPBWR1 (0.52) MC4RNPBWR1IL23RKISS1R
SCHEMBL26422011 0.92 MC4R (0.55) MC4RNPBWR1IL23RKISS1R
SCHEMBL28058267 0.89 MC4R (0.60) MC4RIL23RKISS1R
SCHEMBL28058268 0.89 MC4R (0.60) MC4RIL23RKISS1R
SCHEMBL23417874 0.89 MC4R (0.52) MC4RNPBWR1IL23R
SCHEMBL28235858 0.88 ACE (0.57) MC4R
SCHEMBL17350015 0.88 IL23R (0.56) MC4RNPBWR1IL23R
SCHEMBL20694561 0.88 PRMT1 (0.54) MC4RNPBWR1KISS1R
SCHEMBL30518104 0.88 IL23R (0.63) MC4RNPBWR1IL23R
SCHEMBL13599545 0.87 MC4R (0.56) MC4RKISS1R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022246086-A1 ANTIBODY DRUG CONJUGATES USING MATES TECHNOLOGY FOR DELIVERING CYTOTOXIC AGENTS BIOHAVEN THERAPEUTICS LTD. (US) 2022-11-24 — — WO disclosed
WO-2021102052-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. (US) 2021-05-27 — — WO disclosed
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