SCHEMBL21746444

SCHEMBL21746444

NN1C[C@@H]2CC(F)(F)C[C@@H]2C1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
APLNR P35414 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
SCHEMBL24354654 1.00 APLNR (0.31) APLNR
SCHEMBL21736607 0.72 APLNR (0.31) APLNR
SCHEMBL24354653 0.72 APLNR (0.31) APLNR
SCHEMBL21574872 0.71
SCHEMBL21427331 0.71 APLNR (0.42) APLNR
SCHEMBL22098614 0.69 GRIN2B (0.31)
SCHEMBL19754771 0.69 GRIN2B (0.31)
SCHEMBL23862402 0.67 ATM (0.32)
SCHEMBL23277735 0.67 ATM (0.32)
SCHEMBL24869671 0.67 APLNR (0.32) APLNR

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-2020035540-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-02-20 WO disclosed