SCHEMBL6581748

SCHEMBL6581748

C[C@@H](CN1CCC(COC(=O)Nc2ccccc2N)CC1)NC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.50
ACHE P22303 2/20 0.50
MAOB P27338 2/20 0.49
CHRM3 P20309 6/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC3 O15379 7/20 0.43
HDAC1 Q13547 7/20 0.43
HDAC2 Q92769 7/20 0.43
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
HRH1 P35367 1/20 0.42

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
SCHEMBL6581593 0.86 BCHE (0.47) BCHEACHEMAOBCHRM3NPC1
SCHEMBL8591719 0.83 CHRM3 (0.55) CHRM3NPC1RAB9AHDAC3HDAC1
SCHEMBL6586747 0.80 HRH1 (0.50) BCHEACHEHRH1
SCHEMBL6586884 0.77 BCHE (0.43) BCHEACHEMAOBHRH1
SCHEMBL6581751 0.76 HRH1 (0.42) BCHEACHEHRH1
SCHEMBL7419390 0.76 CHRM3 (0.54) CHRM3HDAC3HDAC1HDAC2
SCHEMBL3811403 0.75 NPC1 (0.68) MAOBNPC1RAB9AHDAC3HDAC1
SCHEMBL13833506 0.75 HDAC1 (0.67) CHRM3HDAC3HDAC1HDAC2
SCHEMBL6584489 0.74 HRH1 (0.42) BCHEACHEHRH1
SCHEMBL9414189 0.72 CTSK (0.55) NPC1RAB9AHDAC3HDAC1HDAC2

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