SCHEMBL31199040

SCHEMBL31199040

Oc1cc(C(F)(F)F)nn1-c1ccc(F)cn1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 8/20 0.42
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL31199062 0.85 MAPT (0.44) CRACR2ACNR1CNR2
SCHEMBL7405141 0.84 PTGS1 (0.44) CRACR2ACNR1CNR2
SCHEMBL31199164 0.81 EGLN2 (0.43) CRACR2A
SCHEMBL31199137 0.80 CRACR2A (0.38) CRACR2A
SCHEMBL3106823 0.79 PTGS2 (0.46)
SCHEMBL6389262 0.79
SCHEMBL31199093 0.78 UBE2T (0.44) CNR1CNR2
SCHEMBL15751006 0.78 PTGS1 (0.47)
SCHEMBL537523 0.77 TGFBR1 (0.44) CRACR2A
SCHEMBL31139192 0.75 CNR1 (0.46) CNR1CNR2

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
CN-118955469-A Pyrazole alcohol compound as well as preparation method and application thereof 安徽中医药大学 2024-11-15 CN disclosed