SCHEMBL6585220

SCHEMBL6585220

CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(C(N)=O)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.59
KMT2A Q03164 3/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
CYP2C19 P33261 1/20 0.52
CAPN1 P07384 1/20 0.51
UBE2N P61088 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PABPC1 P11940 1/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 1/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL27524304 1.00 FPR2 (0.59) FPR2KMT2AMAPK1SMN1; SMN2CYP2C19
SCHEMBL6582593 0.90 CYP2C19 (0.62) FPR2KMT2AMAPK1SMN1; SMN2CYP2C19
SCHEMBL6626029 0.82 KMT2A (0.69) FPR2KMT2AMAPK1ALDH1A1PABPC1
SCHEMBL6599770 0.81 GAA (0.47) KMT2ASMN1; SMN2CYP2C19CAPN1ALDH1A1
SCHEMBL8816132 0.81 FPR2 (0.62) FPR2KMT2APABPC1MEN1KDM4E
SCHEMBL8816136 0.81 FPR2 (0.62) FPR2KMT2APABPC1MEN1KDM4E
SCHEMBL6584160 0.81 SMN1; SMN2 (0.57) MAPK1SMN1; SMN2CYP2C19UBE2N
SCHEMBL10801015 0.78 CTSL (0.54) ALDH1A1
SCHEMBL3769914 0.77 L3MBTL1 (0.58) L3MBTL1ALDH1A1
SCHEMBL996291 0.77 L3MBTL1 (0.58) L3MBTL1ALDH1A1

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