SCHEMBL30772005

SCHEMBL30772005

CC(C)(C)[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.49
MC3R P41968 2/20 0.48
MC1R Q01726 1/20 0.48
VHL P40337 16/20 0.47
MC4R P32245 1/20 0.46
ELOC Q15369 7/20 0.45
ELOB Q15370 7/20 0.45
MC5R P33032 1/20 0.44

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
SCHEMBL30772016 0.91 VHL (0.46) VHLELOCELOB
SCHEMBL30772000 0.91 VHL (0.47) VHLELOCELOB
SCHEMBL24333901 0.88 VHL (0.54) VHLELOCELOB
SCHEMBL30772031 0.87 VHL (0.45) CFDVHLELOCELOB
SCHEMBL25616287 0.85 VHL (0.52) VHLELOCELOB
SCHEMBL17952481 0.84 VHL (0.51) VHLELOCELOB
SCHEMBL18319585 0.84 VHL (0.51) VHLELOCELOB
Hydrochloric Acid SCHEMBL17941140 0.83 VHL (0.51) VHLELOCELOB
Hydrochloric Acid SCHEMBL17941139 0.83 VHL (0.51) VHLELOCELOB
SCHEMBL19599692 0.82 VHL (0.58) VHLELOCELOB

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-2024001839-A1 HETEROAROMATIC RING COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-01-04 WO disclosed