SCHEMBL31048965

SCHEMBL31048965

O=C(N1C2C=CC1CNC2)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 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
SCHEMBL9685481 0.75 CHRNB2 (0.31) CHRNA7
SCHEMBL29977638 0.74 CHRNB2 (0.32) CHRNA7
Hydrochloric Acid SCHEMBL9685918 0.73 CHRNB2 (0.31) CHRNA7
SCHEMBL25039322 0.73 HTR2C (0.38) CHRNA7
SCHEMBL31049036 0.71
SCHEMBL29976888 0.68 CHRM2 (0.45)
SCHEMBL31049143 0.66 NR1H2 (0.43)
SCHEMBL22248806 0.65 CHRNA4 (0.55) CHRNA7
SCHEMBL28672272 0.65 CHRNA4 (0.55) CHRNA7
Hydrochloric Acid SCHEMBL22235812 0.64 CHRNA4 (0.53) CHRNA7

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-2024167922-A2 HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-08-15 WO disclosed