SCHEMBL23367193

SCHEMBL23367193

O=Cc1cnn(-c2ccc(C(F)(F)F)c(F)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.42
CYP11B2 P19099 9/20 0.34
CYP11B1 P15538 6/20 0.34
GRM2 Q14416 1/20 0.34
P2RX7 Q99572 1/20 0.33
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
KCNE1 P15382 1/20 0.31
KCNQ1 P51787 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
SCHEMBL23367252 0.78 P2RX7 (0.40) P2RX7
SCHEMBL23354805 0.77 ASPH (0.39) KIF11CYP11B2CYP11B1GRM2KCNQ3
SCHEMBL12442424 0.76 P2RX7 (0.42) P2RX7
SCHEMBL23354747 0.70 ALDH1A1 (0.39) CYP11B2CYP11B1
SCHEMBL11691729 0.69 P2RX7 (0.42) P2RX7
SCHEMBL11696173 0.69 P2RX7 (0.42) P2RX7
SCHEMBL9814514 0.69 P2RX7 (0.62) P2RX7
SCHEMBL9211834 0.68 ERN1 (0.34)
SCHEMBL31568323 0.68 L3MBTL1 (0.35) P2RX7
SCHEMBL23367388 0.68 P2RX7 (0.42) P2RX7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021094434-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2021-05-20 WO disclosed
EP-3822265-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS Bayer AG (DE) 2021-05-19 EP disclosed