SCHEMBL8870852

SCHEMBL8870852

O=C(O)C1CCCC(c2ccccc2)N1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
KCNH2 Q12809 7/20 0.47
SCN3A Q9NY46 4/20 0.47
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C1 Q04828 1/20 0.40
TSHR P16473 2/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
FABP7 O15540 1/20 0.39
FABP5 Q01469 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL31289648 1.00 DPP4 (0.47) DPP4KCNH2SCN3ATP53L3MBTL1
SCHEMBL31289649 1.00 DPP4 (0.47) DPP4KCNH2SCN3ATP53L3MBTL1
Hydrochloric Acid SCHEMBL31289646 0.98 DPP4 (0.46) DPP4KCNH2SCN3ATP53L3MBTL1
Hydrochloric Acid SCHEMBL8871065 0.98 DPP4 (0.46) DPP4KCNH2SCN3ATP53L3MBTL1
SCHEMBL28308179 0.89 DPP4 (0.47) DPP4KCNH2SCN3ATP53L3MBTL1
SCHEMBL135105 0.89 KCNH2 (0.56) DPP4KCNH2SCN3AAKR1C3AKR1C1
SCHEMBL1226045 0.89 KCNH2 (0.56) DPP4KCNH2SCN3AAKR1C3AKR1C1
SCHEMBL135106 0.89 KCNH2 (0.56) DPP4KCNH2SCN3AAKR1C3AKR1C1
SCHEMBL8513273 0.89 KCNH2 (0.56) DPP4KCNH2SCN3AAKR1C3AKR1C1
SCHEMBL197425 0.89 KCNH2 (0.56) DPP4KCNH2SCN3AAKR1C3AKR1C1

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