SCHEMBL6584489

SCHEMBL6584489

C[C@@H](CN1CCC(C(N)(OC=O)c2ccccc2N)CC1)NC(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.42
PREP P48147 2/20 0.41
CYP1A2 P05177 1/20 0.40
OPRK1 P41145 3/20 0.39
ELANE P08246 1/20 0.38
CCR1 P32246 1/20 0.38
CYP3A4 P08684 3/20 0.37
TSHR P16473 3/20 0.37
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
CTSK P43235 1/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37

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
SCHEMBL7338294 0.80 SMN1; SMN2 (0.34) PREPCYP1A2CCR1
SCHEMBL6586747 0.75 HRH1 (0.50) HRH1PREPCYP1A2OPRK1ELANE
SCHEMBL6581748 0.74 BCHE (0.50) HRH1BCHEACHE
SCHEMBL6581751 0.73 HRH1 (0.42) HRH1PREPOPRK1ELANECCR1
SCHEMBL23137089 0.70 ATM (0.49) CYP1A2OPRK1ELANECYP3A4TSHR
SCHEMBL4802049 0.67 AAK1 (0.44) HRH1OPRK1TSHRCTSK
SCHEMBL19924794 0.67 HRH1 (0.62) HRH1OPRK1BCHEACHECTSK
SCHEMBL19924796 0.67 HRH1 (0.62) HRH1OPRK1BCHEACHECTSK
SCHEMBL23135998 0.67 DPP4 (0.49) PREPCYP1A2OPRK1ELANECCR1
SCHEMBL29802251 0.66 CCR1 (0.47) CYP1A2OPRK1CCR1CYP3A4TSHR

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