SCHEMBL6582857

SCHEMBL6582857

CSCCC(CN1CC[CH]CC1)NC(=O)Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.40
EPHX2 P34913 1/20 0.40
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 2/20 0.39
CCR3 P51677 1/20 0.39
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
FPR2 P25090 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRNA7 P36544 1/20 0.38

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
SCHEMBL6582343 0.83 ROCK2 (0.44) NPSR1SMN1; SMN2EPHX2HSD17B10NPC1
SCHEMBL6582260 0.81 LMNA (0.41) NPSR1EPHX2HSD17B10NPC1TP53
SCHEMBL6584984 0.79 EPHX2 (0.49) SMN1; SMN2EPHX2HSD17B10NPC1TP53
SCHEMBL6584531 0.76 CCKBR (0.45) GAATP53CCR3TSHRMEN1
SCHEMBL5742996 0.73 CCR3 (0.42) CCR3KMT2A
SCHEMBL5740967 0.73 HTR4 (0.41) CCR3
SCHEMBL20335020 0.72 NPSR1 (0.74) NPSR1SMN1; SMN2GAAMAPK1CA12
SCHEMBL6380632 0.72 NPSR1 (0.74) NPSR1SMN1; SMN2GAAMAPK1CA12
SCHEMBL11618281 0.69 CTSB (0.52) NPSR1SMN1; SMN2GAAEPHX2HSD17B10
SCHEMBL20335046 0.69 GAA (0.75) NPSR1SMN1; SMN2GAAMAPK1TSHR

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