SCHEMBL28911998

SCHEMBL28911998

CC(Oc1ccc2c(c1)NCCC(C=O)N2C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.47
CREBBP Q92793 4/20 0.47
S1PR5 Q9H228 2/20 0.41
S1PR1 P21453 1/20 0.41
KCNH2 Q12809 1/20 0.40
SCN3A Q9NY46 1/20 0.40
LTB4R Q15722 7/20 0.39
LTB4R2 Q9NPC1 7/20 0.39
FFAR1 O14842 1/20 0.39
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
IGLV6-57 P01721 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
SCHEMBL19518274 0.76 BRD4 (0.49) BRD4CREBBPS1PR5S1PR1KCNH2
SCHEMBL28566657 0.69 CREBBP (0.62) BRD4CREBBPS1PR5S1PR1KCNH2
SCHEMBL22368833 0.68 CREBBP (0.64) BRD4CREBBPS1PR5S1PR1KCNH2
SCHEMBL22368924 0.68 CREBBP (0.64) BRD4CREBBPS1PR5S1PR1KCNH2
SCHEMBL22369023 0.65 BRD4 (0.52) BRD4CREBBPS1PR5S1PR1KCNH2
SCHEMBL28555707 0.65 BRD4 (0.62) BRD4CREBBPS1PR5S1PR1KCNH2
SCHEMBL17673118 0.64 CREBBP (1.00) BRD4CREBBP
SCHEMBL28311918 0.64 HRH3 (0.53)
SCHEMBL17673303 0.64 CREBBP (1.00) BRD4CREBBP
SCHEMBL1299481 0.63 IGLV6-57 (0.47) BRD4CREBBPS1PR5S1PR1LTB4R

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
CN-107108512-B Therapeutic compounds and uses thereof 基因泰克公司 2021-05-04 CN disclosed