SCHEMBL30168356

SCHEMBL30168356

COc1ccc(NC(=O)C2(c3ccccc3C(C)C)CCN(C(=O)OC(C)(C)C)C(=O)C2)c(OC(F)F)n1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 20/20 0.53
CYP3A4 P08684 9/20 0.53

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
SCHEMBL25001155 0.82 LPAR1 (0.64) LPAR1CYP3A4
SCHEMBL30168429 0.82 LPAR1 (0.64) LPAR1CYP3A4
SCHEMBL30168359 0.81 LPAR1 (0.62) LPAR1CYP3A4
SCHEMBL30168418 0.80 LPAR1 (0.59) LPAR1CYP3A4
SCHEMBL30844774 0.80 LPAR1 (0.74) LPAR1CYP3A4
SCHEMBL23721629 0.80 LPAR1 (0.74) LPAR1CYP3A4
SCHEMBL25000938 0.79 LPAR1 (0.64) LPAR1CYP3A4
SCHEMBL30168386 0.79 LPAR1 (0.64) LPAR1CYP3A4
SCHEMBL25001733 0.79 LPAR1 (0.61) LPAR1CYP3A4
SCHEMBL25001446 0.78 LPAR1 (0.63) LPAR1CYP3A4

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-2023014907-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed