SCHEMBL6584531

SCHEMBL6584531

O=C(Nc1ccccc1)NC(COCc1ccccc1)CN1CC[CH]CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.45
CCR3 P51677 1/20 0.42
TSHR P16473 1/20 0.42
TAOK1 Q7L7X3 1/20 0.40
TAOK3 Q9H2K8 1/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
KMT2A Q03164 2/20 0.40
DRD2 P14416 1/20 0.40
S1PR1 P21453 1/20 0.39
SLC6A2 P23975 1/20 0.39
CCKAR P32238 1/20 0.39
OPRM1 P35372 1/20 0.39
SCN1A P35498 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39

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
SCHEMBL6585595 0.86 TSHR (0.41) TSHRKMT2AFOLH1PRMT5WDR77
SCHEMBL6582343 0.82 ROCK2 (0.44) CCR3TSHRDRD4DRD3KMT2A
SCHEMBL6582260 0.80 LMNA (0.41) CCR3TSHRDRD4DRD3KMT2A
SCHEMBL6582857 0.76 NPSR1 (0.44) CCR3TSHRKMT2ALMNAMEN1
SCHEMBL6584984 0.76 EPHX2 (0.49) CCR3TSHRKMT2APRMT5WDR77
SCHEMBL27491559 0.68 PPARA (0.50) KMT2AMEN1
SCHEMBL6584598 0.68 PPARA (0.50) KMT2AMEN1
SCHEMBL16758733 0.68 FOLH1 (0.51) TSHRFOLH1
SCHEMBL6585203 0.67 PPARA (0.51) KMT2AMEN1
SCHEMBL8009141 0.65 ALDH1A1 (0.69) KMT2ALMNAMEN1TP53

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 5 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-0580633-B1 HETEROCYCLIC AMINES USEFUL IN THE THERAPY OF ASTHMA AND INFLAMMATION OF THE RESPIRATORY TRACT BOEHRINGER MANNHEIM ITALIA (IT) 1998-06-17 EP 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