SCHEMBL25009352

SCHEMBL25009352

COCC(C)Oc1cc(Cl)ncc1C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.37
DHFR P00374 2/20 0.35
DCPS Q96C86 2/20 0.35
CNR2 P34972 1/20 0.34
ABL1 P00519 2/20 0.33
EGFR P00533 1/20 0.32
GCK P35557 1/20 0.32
GRM5 P41594 2/20 0.32

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
SCHEMBL25001114 0.84 MCHR1 (0.37) MCHR1DHFRDCPSCNR2ABL1
SCHEMBL25009568 0.84 MCHR1 (0.38) MCHR1DHFRDCPSCNR2ABL1
SCHEMBL29210919 0.83 MCHR1 (0.42) MCHR1DHFRDCPSCNR2ABL1
SCHEMBL25000952 0.83 MCHR1 (0.42) MCHR1DHFRDCPSCNR2ABL1
SCHEMBL25009529 0.83 MCHR1 (0.42) MCHR1DHFRDCPSCNR2ABL1
SCHEMBL22804656 0.77 GCK (0.37) ABL1GCK
SCHEMBL22804653 0.77 GCK (0.37) ABL1GCK
SCHEMBL29572900 0.77 GCK (0.37) ABL1GCK
SCHEMBL1425419 0.74 S1PR1 (0.42) DHFR
SCHEMBL30013468 0.74 S1PR1 (0.42) DHFR

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