SCHEMBL6588263

SCHEMBL6588263

NCC1CCN(C[C@H](CC(N)=O)NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.46
TPSAB1 Q15661 2/20 0.45
TPSD1 Q9BZJ3 2/20 0.45
TPSG1 Q9NRR2 2/20 0.45
CTRB1 P17538 2/20 0.45
OPRK1 P41145 3/20 0.43
ITGB3 P05106 3/20 0.43
ITGAV P06756 2/20 0.43
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
CACNA1F O60840 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
TSHR P16473 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
PREP P48147 2/20 0.41

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
SCHEMBL6588340 0.90 BCHE (0.45) HRH1TPSAB1TPSD1TPSG1CTRB1
SCHEMBL6584927 0.78 BCHE (0.45) ITGB3BCHEACHECACNA1FCACNA1D
SCHEMBL6588325 0.76 CTRB1 (0.57) HRH1CTRB1OPRK1ITGB3PREP
SCHEMBL6584598 0.76 PPARA (0.50) BCHEACHE
SCHEMBL27491559 0.76 PPARA (0.50) BCHEACHE
SCHEMBL6584975 0.76 PPARA (0.50) BCHEACHE
SCHEMBL27491923 0.75 SMN1; SMN2 (0.43) TPSAB1TPSD1TPSG1
SCHEMBL8329759 0.74 HRH1 (0.48) HRH1OPRK1BCHEACHECACNA1F
SCHEMBL7361852 0.74 CTRB1 (0.64) CTRB1OPRK1ITGB3ITGA2B
SCHEMBL7361850 0.74 CTRB1 (0.64) CTRB1OPRK1ITGB3ITGA2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815080-B1 DI-SUBSTITUTED 1,4-PIPERIDINE ESTERS AND AMIDES HAVING 5-HT4 ANTAGONISTIC ACTIVITY BOEHRINGER INGELHEIM ITALIA (IT) 2004-06-16 EP disclosed
US-6002009-A Di-substituted 1,4-piperidine esters and amides having 5-HT4 antagonistic activity BOEHRINGER INGELHEIM ITALIA, S.P.A. (IT) 1999-12-14 US disclosed
EP-0815080-A1 DI-SUBSTITUTED 1,4-PIPERIDINE ESTERS AND AMIDES HAVING 5-HT 4? ANTAGONISTIC ACTIVITY BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1998-01-07 EP disclosed
WO-1996028424-A1 DI-SUBSTITUTED 1,4-PIPERIDINE ESTERS AND AMIDES HAVING 5-HT4 ANTAGONISTIC ACTIVITY BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1996-09-19 WO disclosed