SCHEMBL6586747

SCHEMBL6586747

[CH2]C1CCN(CC(C)NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.50
PREP P48147 2/20 0.49
OPRK1 P41145 3/20 0.48
CCR1 P32246 1/20 0.47
CTSK P43235 5/20 0.47
ATM Q13315 1/20 0.46
TGM2 P21980 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 2/20 0.45
TSHR P16473 2/20 0.45
ELANE P08246 1/20 0.45

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
SCHEMBL6588325 0.85 CTRB1 (0.57) HRH1PREPOPRK1CTSKTGM2
SCHEMBL6581748 0.80 BCHE (0.50) HRH1BCHEACHE
SCHEMBL23137089 0.80 ATM (0.49) OPRK1CTSKATMCTSLCTSB
SCHEMBL23135998 0.78 DPP4 (0.49) PREPOPRK1CCR1CTSKATM
SCHEMBL6581751 0.77 HRH1 (0.42) HRH1PREPOPRK1CCR1CTSK
SCHEMBL29802251 0.77 CCR1 (0.47) OPRK1CCR1CTSKATMCTSL
SCHEMBL19816660 0.77 PREP (0.48) PREPOPRK1CCR1CTSKCTSL
SCHEMBL19816662 0.77 PREP (0.48) PREPOPRK1CCR1CTSKCTSL
SCHEMBL19501222 0.75 ACE2 (0.47) HRH1BCHEACHECYP3A4
SCHEMBL25283470 0.75 CTSL (0.52) PREPBCHEACHECTSL

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