SCHEMBL7672106

SCHEMBL7672106

Cc1c(SCCCN2CCNCC2)ccnc1CNc1cnc2ccccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
IGF1R P08069 2/20 0.38
EGFR P00533 1/20 0.38
INSR P06213 1/20 0.38
MET P08581 1/20 0.38
CDK2 P24941 1/20 0.38
KDR P35968 1/20 0.38
TEK Q02763 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
HTT P42858 3/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL7678516 0.87 FAAH (0.42) MEN1KMT2AIGF1REGFRINSR
SCHEMBL7670964 0.83 MEN1 (0.45) MEN1KMT2AKDRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7672407 0.82 MEN1 (0.44) MEN1KMT2AKDRKDM4EALDH1A1
SCHEMBL7671243 0.82 MEN1 (0.44) MEN1KMT2AKDRKDM4EALDH1A1
SCHEMBL7678998 0.82 MEN1 (0.43) MEN1KMT2AKDRKDM4EALDH1A1
SCHEMBL7675359 0.82 MEN1 (0.43) MEN1KMT2AKDRKDM4EALDH1A1
SCHEMBL7679446 0.80 MEN1 (0.46) MEN1KMT2AKDRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7677732 0.80 MEN1 (0.45) MEN1KMT2AKDRKDM4EALDH1A1
SCHEMBL7672108 0.79 DRD3 (0.41) DRD2DRD3CYP1A2CYP2D6KDM4E
SCHEMBL7677729 0.77 KDR (0.35) IGF1REGFRINSRMETCDK2

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
US-6479514-B1 FOR THE CONTROL OF HELICOBACTER BACTERIA IN INFECTED PATIENTS ALTANA PHARMA AG (DE) 2002-11-12 US disclosed
EP-1086094-A1 QUINOLINE-AMINOMETHYL-PYRIDYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-03-28 EP disclosed
WO-1999061438-A1 QUINOLINE-AMINOMETHYL-PYRIDYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-12-02 WO disclosed