SCHEMBL6582343

SCHEMBL6582343

O=C(Nc1ccccc1)NC(CO)CN1CC[CH]CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.44
ROCK1 Q13464 2/20 0.44
TP53 P04637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CCR3 P51677 2/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
EPHX2 P34913 2/20 0.42
HSD17B10 Q99714 1/20 0.41
EPHX1 P07099 1/20 0.41
TSHR P16473 1/20 0.41
CDK9 P50750 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 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
SCHEMBL6582260 0.84 LMNA (0.41) TP53NPC1RAB9ACCR3POLB
SCHEMBL6582857 0.83 NPSR1 (0.44) TP53NPC1RAB9ACCR3POLB
SCHEMBL6584984 0.83 EPHX2 (0.49) TP53NPC1RAB9ACCR3POLB
SCHEMBL6584531 0.82 CCKBR (0.45) TP53CCR3KMT2AMEN1TSHR
SCHEMBL6588576 0.75 KMT2A (0.33) KMT2AALDH1A1
SCHEMBL8009141 0.71 ALDH1A1 (0.69) TP53NPC1RAB9APOLBKMT2A
SCHEMBL6375568 0.69 PKM (0.66) TP53NPC1RAB9APOLBKMT2A
SCHEMBL7391339 0.68 HTR3A (0.66) RAB9ACCR3POLBKMT2AMEN1
SCHEMBL8009143 0.68 GAA (0.41) CCR3KMT2AMEN1TSHROPRM1
SCHEMBL7395919 0.68 KMT2A (0.68) TP53POLBKMT2AMEN1EPHX2

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