SCHEMBL6586315

SCHEMBL6586315

CC(C(=O)OCc1ccccc1)C(N)N1CCC(C(Nc2ccccc2N)OC=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.37
KCNH2 Q12809 4/20 0.37
DPP7 Q9UHL4 4/20 0.37
HDAC1 Q13547 7/20 0.36
HDAC2 Q92769 3/20 0.36
LNPEP Q9UIQ6 4/20 0.36
ERAP2 Q6P179 3/20 0.35
ERAP1 Q9NZ08 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC3 O15379 2/20 0.34
CYP2C9 P11712 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MAPKAPK3 Q16644 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CCR1 P32246 1/20 0.33

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
SCHEMBL7343066 0.88 UBE2M (0.41) DPP4KCNH2DPP7RAB9ATSHR
SCHEMBL7338294 0.74 SMN1; SMN2 (0.34) DPP4KCNH2DPP7NPC1RAB9A
SCHEMBL24974571 0.66 HRH3 (0.49) KCNH2NPC1RAB9ASMN1; SMN2CYP2C9
SCHEMBL6584997 0.66 UBE2M (0.35) DPP4KCNH2DPP7NPC1RAB9A
SCHEMBL21274786 0.63 DPP4 (0.55) DPP4KCNH2DPP7NPC1RAB9A
SCHEMBL21274787 0.63 DPP4 (0.55) DPP4KCNH2DPP7NPC1RAB9A
SCHEMBL24297824 0.63 ALDH1A1 (0.53) NPC1RAB9ASLC6A3L3MBTL1
SCHEMBL28973567 0.63 ALDH1A1 (0.53) NPC1RAB9ASLC6A3L3MBTL1
SCHEMBL19876581 0.62 SMN1; SMN2 (0.66) LNPEPNPC1RAB9ASMN1; SMN2CYP2C9
SCHEMBL17946175 0.62 SMN1; SMN2 (0.66) LNPEPNPC1RAB9ASMN1; SMN2CYP2C9

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 3 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
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