SCHEMBL22368804

SCHEMBL22368804

O=C1CCNc2c(cccc2C(=O)Nc2ccccc2)N1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 16/20 0.62
BRD4 O60885 14/20 0.62
ALDH1A1 P00352 1/20 0.44
GRM5 P41594 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
SCHEMBL22369095 0.87 CREBBP (0.67) CREBBPBRD4
SCHEMBL22368638 0.86 CREBBP (0.67) CREBBPBRD4ALDH1A1
SCHEMBL17680901 0.84 CREBBP (0.68) CREBBPBRD4GRM5
SCHEMBL17680982 0.81 CREBBP (0.64) CREBBPBRD4ALDH1A1
SCHEMBL17680894 0.81 CREBBP (0.70) CREBBPBRD4
SCHEMBL17680986 0.77 CREBBP (0.39) CREBBPBRD4
SCHEMBL17680977 0.77 CREBBP (0.68) CREBBPBRD4ALDH1A1
SCHEMBL22369208 0.77 CREBBP (0.71) CREBBPBRD4
SCHEMBL17673178 0.77 CREBBP (1.00) CREBBPBRD4
SCHEMBL17680686 0.76 CREBBP (0.63) CREBBPBRD4ALDH1A1GRM5

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-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed