SCHEMBL25009529

SCHEMBL25009529

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.42
DHFR P00374 2/20 0.40
DCPS Q96C86 2/20 0.40
CNR2 P34972 1/20 0.34
GCK P35557 2/20 0.33
P2RX3 P56373 1/20 0.32
ABL1 P00519 2/20 0.32
EGFR P00533 1/20 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
SCHEMBL25000952 1.00 MCHR1 (0.42) MCHR1DHFRDCPSCNR2GCK
SCHEMBL29210919 1.00 MCHR1 (0.42) MCHR1DHFRDCPSCNR2GCK
SCHEMBL25009912 0.85 P2RX3 (0.32) DHFRP2RX3
SCHEMBL25001114 0.83 MCHR1 (0.37) MCHR1DHFRDCPSCNR2GCK
SCHEMBL25009352 0.83 MCHR1 (0.37) MCHR1DHFRDCPSCNR2GCK
SCHEMBL25009709 0.83 MCHR1 (0.43) MCHR1DHFRDCPSCNR2GCK
SCHEMBL25000951 0.80 P2RX3 (0.40) MCHR1P2RX3
SCHEMBL29223784 0.78 PLAU (0.46)
SCHEMBL22804656 0.76 GCK (0.37) GCKABL1
SCHEMBL22804653 0.76 GCK (0.37) GCKABL1

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