SCHEMBL23367298

SCHEMBL23367298

C=C1NC(=O)NC1(CNC(=O)c1cnn(-c2ccccc2)n1)C(C)CO

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAMTS7 Q9UKP4 11/20 0.55
HDAC1 Q13547 2/20 0.43
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NTRK1 P04629 1/20 0.34
NTRK2 Q16620 1/20 0.34
P2RX7 Q99572 1/20 0.33

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
SCHEMBL23384608 0.91 ADAMTS7 (0.62) ADAMTS7HDAC1NPC1RAB9A
SCHEMBL23354910 0.84 ADAMTS7 (0.65) ADAMTS7HDAC1NPC1RAB9A
SCHEMBL29874194 0.84 ADAMTS7 (0.65) ADAMTS7HDAC1NPC1RAB9A
SCHEMBL23367480 0.77 ADAMTS7 (0.78) ADAMTS7HDAC1
SCHEMBL23367363 0.76 ADAMTS7 (0.52) ADAMTS7HDAC1NPC1RAB9AP2RX7
SCHEMBL29873787 0.75 ADAMTS7 (0.66) ADAMTS7HDAC1NPC1RAB9A
SCHEMBL23354853 0.75 ADAMTS7 (0.66) ADAMTS7HDAC1NPC1RAB9A
SCHEMBL23354777 0.74 ADAMTS7 (0.66) ADAMTS7HDAC1
SCHEMBL29873810 0.74 ADAMTS7 (0.66) ADAMTS7HDAC1
SCHEMBL23354781 0.74 ADAMTS7 (0.63) ADAMTS7HDAC1

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
EP-3822265-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS Bayer AG (DE) 2021-05-19 EP disclosed