SCHEMBL8869867

SCHEMBL8869867

CC(C)(C)NC(=O)[C@@H]1CCC(c2ccccc2)N1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
KCNH2 Q12809 11/20 0.47
SCN3A Q9NY46 6/20 0.47
KDM1A O60341 1/20 0.44
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
SCN1A P35498 1/20 0.38
SCN4A P35499 1/20 0.38
SCN7A Q01118 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38

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
SCHEMBL8869859 1.00 DPP4 (0.47) DPP4KCNH2SCN3AKDM1ALMNA
SCHEMBL30890546 0.83 KCNH2 (0.60) DPP4KCNH2SCN3ALMNASCN1A
SCHEMBL21439771 0.78 KCNH2 (0.46) DPP4KCNH2SCN3AKDM1ASCN1A
SCHEMBL12571278 0.78 KCNH2 (0.54) DPP4KCNH2SCN3ASCN1ASCN4A
SCHEMBL13447270 0.78 KCNH2 (0.54) DPP4KCNH2SCN3ASCN1ASCN4A
SCHEMBL135106 0.77 KCNH2 (0.56) DPP4KCNH2SCN3ASCN1ASCN4A
SCHEMBL197425 0.77 KCNH2 (0.56) DPP4KCNH2SCN3ASCN1ASCN4A
SCHEMBL5696388 0.77 KCNH2 (0.56) DPP4KCNH2SCN3ASCN1ASCN4A
SCHEMBL1226045 0.77 KCNH2 (0.56) DPP4KCNH2SCN3ASCN1ASCN4A
SCHEMBL135105 0.77 KCNH2 (0.56) DPP4KCNH2SCN3ASCN1ASCN4A

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
US-5610144-A CHOLECYSTOKININ OR GASTRIN ANTAGONISTS; NERVOUS SYSTEM AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER S.A. (FR) 1997-03-11 US disclosed