SCHEMBL25001036

SCHEMBL25001036

CNC1CCC(C(=O)Nc2ccc(OC)nc2OC(F)F)(c2ccccc2C(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 20/20 0.59
CYP3A4 P08684 7/20 0.59

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
SCHEMBL30168380 0.92 LPAR1 (0.59) LPAR1CYP3A4
SCHEMBL25000926 0.91 LPAR1 (0.60) LPAR1CYP3A4
SCHEMBL25001162 0.91 LPAR1 (0.59) LPAR1CYP3A4
SCHEMBL30168391 0.91 LPAR1 (0.59) LPAR1CYP3A4
SCHEMBL25000993 0.91 LPAR1 (0.59) LPAR1CYP3A4
SCHEMBL31610841 0.90 LPAR1 (0.59) LPAR1CYP3A4
SCHEMBL25001310 0.89 LPAR1 (0.58) LPAR1CYP3A4
SCHEMBL30168369 0.89 LPAR1 (0.60) LPAR1CYP3A4
SCHEMBL31610812 0.89 LPAR1 (0.58) LPAR1CYP3A4
SCHEMBL25000924 0.89 LPAR1 (0.55) 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