SCHEMBL23912012

SCHEMBL23912012

NN1CCC(c2cccc(OC(F)(F)F)c2)C(C(=O)N(N)c2ccccc2C(F)(F)F)C1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.38
▸ NOTUM Q6P988 1/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ CACNA2D1 P54289 1/20 0.34
▸ HCRTR2 O43614 3/20 0.33
▸ AMPD2 Q01433 1/20 0.33
▸ ADCYAP1R1 P41586 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ CETP P11597 3/20 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
SCHEMBL23642424 0.88 RBP4 (0.38) CACNA1B
SCHEMBL23642705 0.82 NOTUM (0.35) MGLLNOTUMFFAR1HSD11B1OPRM1
SCHEMBL23911985 0.75 ROCK2 (0.40) MGLLNOTUM
SCHEMBL23911983 0.74 PTGIR (0.35) NOTUM
SCHEMBL23642644 0.73 MDM2 (0.32) —
SCHEMBL23912017 0.72 RBP4 (0.38) DPP4
SCHEMBL23911959 0.72 SMN1; SMN2 (0.39) —
SCHEMBL20043920 0.71 KMT2A (0.42) MGLL
SCHEMBL22304658 0.66 HTR2B (0.36) —
SCHEMBL28254580 0.66 MGLL (0.42) MGLLNOTUMSLC22A12HCRTR2ADCYAP1R1

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-3601263-B1 NOVEL PYRIDAZINONE HERBICIDES FMC CORP (US) 2021-10-13 — — EP disclosed
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