SCHEMBL5500989

SCHEMBL5500989

NCC1CCN(C(=O)O)C[C@@H]1O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 4/20 0.35
GABRR2 P28476 1/20 0.35
DPP7 Q9UHL4 2/20 0.34
CPN1 P15169 1/20 0.32
CPB2 Q96IY4 1/20 0.32
GAA P10253 1/20 0.32
DPP4 P27487 2/20 0.31
CYP46A1 Q9Y6A2 1/20 0.31
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL1318390 1.00 GABRR1 (0.35) GABRR1GABRR2DPP7CPN1CPB2
SCHEMBL3033289 1.00 GABRR1 (0.35) GABRR1GABRR2DPP7CPN1CPB2
SCHEMBL3276769 1.00 GABRR1 (0.35) GABRR1GABRR2DPP7CPN1CPB2
SCHEMBL3031676 1.00 GABRR1 (0.35) GABRR1GABRR2DPP7CPN1CPB2
SCHEMBL3033285 1.00 GABRR1 (0.35) GABRR1GABRR2DPP7CPN1CPB2
SCHEMBL3031679 1.00 GABRR1 (0.35) GABRR1GABRR2DPP7CPN1CPB2
SCHEMBL16977621 0.84 EPHX2 (0.34) DPP7GAADPP4
SCHEMBL3025369 0.83 CYP46A1 (0.34) GAACYP46A1
SCHEMBL3025364 0.83 CYP46A1 (0.34) GAACYP46A1
SCHEMBL1314601 0.83 CYP46A1 (0.34) GAACYP46A1

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-1641784-B1 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4 -ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2007-06-13 EP disclosed