SCHEMBL23340477

SCHEMBL23340477

CC(C)CC(=O)N1CCc2[nH]nc(C=O)c2C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 9/20 0.45
BRD4 O60885 2/20 0.45
RBP4 P02753 2/20 0.39
EP300 Q09472 8/20 0.39
DPP4 P27487 3/20 0.39
DPP8 Q6V1X1 3/20 0.39
DPP7 Q9UHL4 3/20 0.39
DPP9 Q86TI2 2/20 0.39
MAPK1 P28482 1/20 0.38
CGAS Q8N884 1/20 0.35
POLB P06746 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL16118428 0.83 CREBBP (0.47) CREBBPBRD4RBP4EP300DPP4
SCHEMBL17229703 0.83 CREBBP (0.47) CREBBPBRD4RBP4EP300DPP4
SCHEMBL19413418 0.81 CREBBP (0.48) CREBBPBRD4RBP4EP300DPP4
SCHEMBL24727762 0.78 CREBBP (0.43) CREBBPBRD4RBP4EP300MAPK1
SCHEMBL17229710 0.77 RBP4 (0.46) CREBBPBRD4RBP4EP300DPP4
SCHEMBL20696228 0.76 CREBBP (0.42) CREBBPBRD4RBP4EP300DPP4
SCHEMBL17465959 0.76 CREBBP (0.40) CREBBPBRD4RBP4EP300DPP4
SCHEMBL17518081 0.76 CREBBP (0.40) CREBBPBRD4RBP4EP300DPP4
SCHEMBL17232732 0.75 RBP4 (0.47) CREBBPBRD4RBP4EP300DPP4
SCHEMBL20952900 0.74 CREBBP (0.41) CREBBPBRD4RBP4EP300DPP4

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-3495357-B1 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE UNIV COLUMBIA (US) 2021-05-05 EP disclosed