SCHEMBL23769277

SCHEMBL23769277

C[C@H]1CCc2c1ncn2C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP7 Q9UHL4 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
SCHEMBL23768867 0.80 DPP4 (0.31) DPP4DPP8DPP7
SCHEMBL23769248 0.80 DPP4 (0.31) DPP4DPP8DPP7
SCHEMBL23769276 0.80 DPP4 (0.31) DPP4DPP8DPP7
Hydrochloric Acid SCHEMBL23754084 0.79 DPP4 (0.31) DPP4DPP8DPP7
SCHEMBL23754096 0.68 KLKB1 (0.30)
SCHEMBL23769612 0.68 KLKB1 (0.30)
SCHEMBL12256571 0.67 PDK1 (0.34) APOBEC3AAPOBEC3G
SCHEMBL24249677 0.64 NOS3 (0.31)
SCHEMBL15268287 0.64 CACNA2D1 (0.31) APOBEC3AAPOBEC3G
SCHEMBL12256562 0.63 DRD4 (0.36) APOBEC3AAPOBEC3G

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-2021160718-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-08-19 WO disclosed