SCHEMBL6584115

SCHEMBL6584115

C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(COC(=O)Nc2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.47
PREP P48147 2/20 0.47
CCR1 P32246 1/20 0.45
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
MAOB P27338 1/20 0.42
CHRM3 P20309 4/20 0.42
HTT P42858 1/20 0.41
CTSK P43235 3/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.41
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40

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
SCHEMBL6581593 0.86 BCHE (0.47) TRPV1BCHEACHEMAOBCHRM3
SCHEMBL8329754 0.79 PREP (0.59) PREPCCR1CTSKCTSLCTSB
SCHEMBL6584060 0.79 PREP (0.59) PREPCCR1CTSKCTSLCTSB
SCHEMBL6586390 0.79 PREP (0.59) PREPCCR1CTSKCTSLCTSB
SCHEMBL8661228 0.79 CTSK (0.51) CTSKCTSLCTSBCTSSNPC1
SCHEMBL6672269 0.77 RAB9A (0.61) NPC1RAB9AGAA
SCHEMBL6584118 0.77 CCR1 (0.46) PREPCCR1CTSKCTSLCTSB
SCHEMBL8206098 0.76 PREP (0.61) PREPCCR1CTSKCTSLCTSB
SCHEMBL11254461 0.76 PREP (0.61) PREPCCR1CTSKCTSLCTSB
SCHEMBL8206101 0.76 PREP (0.61) PREPCCR1CTSKCTSLCTSB

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