SCHEMBL25955737

SCHEMBL25955737

CC(C)Oc1cccc(C2=CCNCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
HTR2C P28335 5/20 0.41
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
PRMT5 O14744 6/20 0.38
QDPR P09417 1/20 0.36
CDK9 P50750 1/20 0.36
PRMT1 Q99873 1/20 0.36

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
SCHEMBL31651838 0.84 SIGMAR1 (0.45) HTR6SIGMAR1HTR2CPIM1PIM3
SCHEMBL16434801 0.84 SIGMAR1 (0.45) HTR6SIGMAR1HTR2CPIM1PIM3
Hydrochloric Acid SCHEMBL16423084 0.83 HTR2C (0.46) HTR6SIGMAR1HTR2CPIM1PIM3
SCHEMBL23903929 0.78 HTR2C (0.41) HTR6SIGMAR1HTR2CPRMT5CDK9
SCHEMBL29947277 0.78 HTR2C (0.41) HTR6SIGMAR1HTR2CPRMT5CDK9
SCHEMBL171596 0.76 PIM1 (0.51) HTR6SIGMAR1HTR2CPIM1PIM3
SCHEMBL30454060 0.74 HTR2C (0.51) SIGMAR1HTR2CPIM1PIM3PIM2
SCHEMBL5341889 0.74 HTR2C (0.51) SIGMAR1HTR2CPIM1PIM3PIM2
SCHEMBL7940586 0.73 SIGMAR1 (0.49) SIGMAR1HTR2CPIM1PIM3PIM2
SCHEMBL14761633 0.73 CDK9 (0.57) SIGMAR1HTR2CPIM1PIM3PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4227299-A1 BENZIMIDAZOLONE GLP-1 RECEPTOR AGONIST AND USE THEREOF Hangzhou Zhongmeihuadong Pharmaceutical Co., Ltd. (CN) 2023-08-16 EP disclosed