SCHEMBL6180760

SCHEMBL6180760

CCC(=O)NC(c1ccccn1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
ALOX12 P18054 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL6799200 0.84 MAPT (0.44) KDM4EALDH1A1KMT2AHPGDRECQL
SCHEMBL14863635 0.84 L3MBTL1 (0.46) NPC1ALOX12RAB9AKDM4EALDH1A1
SCHEMBL14863636 0.84 L3MBTL1 (0.46) NPC1ALOX12RAB9AKDM4EALDH1A1
SCHEMBL6253217 0.78 MAPT (0.44) NPC1RAB9AALDH1A1CYP1A2KMT2A
SCHEMBL20217274 0.76 KCNA5 (0.41) KDM4EALDH1A1KMT2AHDAC6GAA
SCHEMBL13157233 0.75 PARP1 (0.52) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL20919515 0.75 PARP1 (0.52) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL12975784 0.75 PARP1 (0.52) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL6807801 0.75 KCNA5 (0.39) KDM4EALDH1A1CYP1A2KMT2AHDAC6
SCHEMBL14873381 0.74 KCNA5 (0.42) KDM4EALDH1A1KMT2AHDAC6GAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920424-B1 NON-PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-11-30 EP claimed
EP-1333824-A2 TREATMENT OF SEXUAL DYSFUNCTION Warner-Lambert Company LLC (US) 2003-08-13 EP claimed
WO-2002040008-A2 TREATMENT OF SEXUAL DYSFUNCTION WITH NON PEPTIDE BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 WO claimed
EP-1333824-B1 TREATMENT OF SEXUAL DYSFUNCTION WITH BOMBESIN RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 2005-09-07 EP disclosed
EP-1334100-A1 BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2003-08-13 EP disclosed
EP-1333829-A1 TREATMENT OF SEXUAL DYSFUNCTION USING BOMBESIN ANTAGONISTS Warner-Lambert Company LLC (US) 2003-08-13 EP disclosed
WO-2002040469-A1 BOMBESIN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 WO disclosed
WO-2002040022-A1 TREATMENT OF SEXUAL DYSFUNCTION USING BOMBESIN ANTAGONIST WARNER-LAMBERT COMPANY LLC (US) 2002-05-23 WO disclosed