SCHEMBL25009709

SCHEMBL25009709

COC[C@H](C)Oc1cc(C)ncc1N

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.43
UHRF1 Q96T88 1/20 0.42
DHFR P00374 2/20 0.41
DCPS Q96C86 2/20 0.41
ABL1 P00519 2/20 0.35
CNR2 P34972 1/20 0.34
GRM5 P41594 2/20 0.32
GCK P35557 4/20 0.32
MKNK2 Q9HBH9 1/20 0.32
SLC6A2 P23975 4/20 0.32
SLC6A4 P31645 4/20 0.32
SLC6A3 Q01959 4/20 0.32
KCNH2 Q12809 1/20 0.31

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
SCHEMBL25009568 0.84 MCHR1 (0.38) MCHR1UHRF1DHFRDCPSABL1
SCHEMBL29210919 0.83 MCHR1 (0.42) MCHR1DHFRDCPSABL1CNR2
SCHEMBL25009529 0.83 MCHR1 (0.42) MCHR1DHFRDCPSABL1CNR2
SCHEMBL25000952 0.83 MCHR1 (0.42) MCHR1DHFRDCPSABL1CNR2
SCHEMBL25011567 0.75 UHRF1 (0.48) UHRF1DHFR
SCHEMBL14353575 0.74 UHRF1 (0.56) UHRF1SLC6A2SLC6A4SLC6A3
SCHEMBL18478403 0.70 GCK (0.40) MCHR1DHFRDCPSABL1CNR2
SCHEMBL25010693 0.70 MCHR1 (0.43) MCHR1DHFRDCPSABL1GRM5
SCHEMBL30271340 0.70 MCHR1 (0.43) MCHR1DHFRDCPSABL1GRM5
SCHEMBL25010689 0.70 MCHR1 (0.43) MCHR1DHFRDCPSABL1GRM5

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
WO-2023014908-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed