SCHEMBL6585595

SCHEMBL6585595

CCNC(=O)NC(COCc1ccccc1)CN1CC[CH]CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
FOLH1 Q04609 1/20 0.41
CNR1 P21554 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PPARA Q07869 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MME P08473 1/20 0.37
SLC1A1 P43005 1/20 0.37
CTSS P25774 1/20 0.36

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
SCHEMBL6584531 0.86 CCKBR (0.45) TSHRFOLH1MEN1KMT2APRMT5
SCHEMBL6588576 0.76 KMT2A (0.33) KMT2AALDH1A1
SCHEMBL6584673 0.70 ACACB (0.36) KMT2AALDH1A1
SCHEMBL6584496 0.68 PPARA (0.51) MEN1KMT2APPARAL3MBTL1CTSS
SCHEMBL6585203 0.68 PPARA (0.51) MEN1KMT2APPARAL3MBTL1CTSS
SCHEMBL6584493 0.68 PPARA (0.51) MEN1KMT2APPARAL3MBTL1CTSS
SCHEMBL27491559 0.68 PPARA (0.50) MEN1KMT2APPARAL3MBTL1CTSS
SCHEMBL6584598 0.68 PPARA (0.50) MEN1KMT2APPARAL3MBTL1CTSS
SCHEMBL23385710 0.67 KMT2A (0.51) TSHRMEN1KMT2AALDH1A1PRMT5
SCHEMBL16758733 0.67 FOLH1 (0.51) TSHRFOLH1CNR1PPARAMME

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