SCHEMBL7348373

SCHEMBL7348373

CCCCN1CCC(Cc2cccc3c2NCC3C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.45
RAB9A P51151 1/20 0.42
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR4 Q13639 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
SCHEMBL7351451 0.84 SLC6A2 (0.39) KCNH2MEN1KMT2AALDH1A1HTR4
SCHEMBL9274208 0.79 HTR4 (0.34) HTR4
SCHEMBL7346867 0.75 SLC6A2 (0.46) KCNH2RAB9AMEN1KMT2AKDM4E
SCHEMBL7346874 0.74 KCNH2 (0.46) KCNH2ALDH1A1HTR4
SCHEMBL7333296 0.73 KCNH2 (0.45) KCNH2RAB9AMEN1KMT2AKDM4E
SCHEMBL9340442 0.71 KDM4E (0.45) KCNH2RAB9AMEN1KMT2AKDM4E
SCHEMBL7348366 0.70 KCNH2 (0.46) KCNH2RAB9AMEN1KMT2AHTR4
SCHEMBL7346871 0.70 KCNH2 (0.46) KCNH2RAB9A
SCHEMBL27416355 0.70 KCNH2 (0.45) KCNH2RAB9AKDM4EALDH1A1PMP22
SCHEMBL7357788 0.69 HTR7 (0.55) KCNH2RAB9AHTR4

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
WO-1994008965-A1 N-ALKYLPIPERIDINYL-4-METHYL CARBOXYLIC ESTERS/AMIDES OF CONDENSED RING SYSTEMS AS 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-04-28 WO claimed
US-5726187-A N-alkylpiperidinyl-4-methyl carboxylic esters/amides of condensed ring systems as 5-HT4 receptor antagonists SMITHKLINE BEECHAM PLC (GB) 1998-03-10 US disclosed
WO-1994008965-A1 N-ALKYLPIPERIDINYL-4-METHYL CARBOXYLIC ESTERS/AMIDES OF CONDENSED RING SYSTEMS AS 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-04-28 WO disclosed