SCHEMBL17825495

SCHEMBL17825495

COCC(C(=O)O)(c1ccccc1)c1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.39
MEN1 O00255 1/20 0.39
OPRD1 P41143 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.39
KCNN4 O15554 1/20 0.39
CHRM2 P08172 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
BLM P54132 2/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
PGR P06401 1/20 0.38
THRB P10828 1/20 0.38
ADRB3 P13945 1/20 0.38
OPRK1 P41145 1/20 0.38
PMP22 Q01453 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL29882115 0.75 CHRM3 (0.50) OPRM1OPRD1KMT2AKDM4EKCNN4
SCHEMBL3363882 0.71 CES1 (0.44) MEN1KMT2AKCNN4CHRM2CHRM1
SCHEMBL25477181 0.71 ALDH1A1 (0.52) KMT2AKDM4EKCNN4ALOX15TSHR
Quinoline SCHEMBL27818688 0.70 ALDH1A1 (0.46) KMT2AKDM4ECHRM2CHRM1CHRM3
SCHEMBL6372896 0.69 KCNN4 (0.46) MEN1KMT2AKDM4EKCNN4CHRM2
SCHEMBL6372894 0.69 KCNN4 (0.46) MEN1KMT2AKDM4EKCNN4CHRM2
SCHEMBL17825461 0.69 KDM4E (0.57) KMT2AKDM4ECHRM2CHRM1CHRM3
SCHEMBL6372899 0.69 KCNN4 (0.46) MEN1KMT2AKDM4EKCNN4CHRM2
SCHEMBL17313147 0.68 CYP1A2 (0.46) MEN1KMT2AKCNN4ALOX15TSHR
SCHEMBL4205846 0.68 SLC13A5 (0.44) OPRM1MEN1KMT2AKDM4ECHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230276-A1 GLP-1 RECEPTOR MODULATORS Celgene International II Sarl (CH) 2017-10-18 EP disclosed
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 WO disclosed