SCHEMBL31504379

SCHEMBL31504379

O=C(NCCC1CCCC1)c1cccc(Nc2ccc(OCc3ccccc3)cc2C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 8/20 0.50
▸ BRD4 O60885 1/20 0.47
▸ NR1H4 Q96RI1 3/20 0.44
▸ SPHK2 Q9NRA0 2/20 0.43
▸ CTSV O60911 1/20 0.43
▸ CTSL P07711 1/20 0.43
▸ SPHK1 Q9NYA1 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SMPD1 P17405 1/20 0.41

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
SCHEMBL21617216 1.00 CHRM4 (0.50) CHRM4BRD4NR1H4SPHK2CTSV
SCHEMBL21617205 0.87 CHRM4 (0.49) CHRM4BRD4NR1H4SPHK2CTSV
SCHEMBL21617200 0.86 CHRM4 (0.56) CHRM4BRD4NR1H4NPC1RAB9A
SCHEMBL31504432 0.86 CHRM4 (0.56) CHRM4BRD4NR1H4NPC1RAB9A
SCHEMBL31504422 0.82 HPGD (0.47) CTSVCTSLKDM4ENPC1RAB9A
SCHEMBL21617260 0.82 HPGD (0.47) CTSVCTSLKDM4ENPC1RAB9A
SCHEMBL21617275 0.81 AR (0.39) CTSVCTSL
SCHEMBL31504411 0.81 AR (0.39) CTSVCTSL
SCHEMBL21617158 0.80 CHRM4 (0.43) CHRM4BRD4NR1H4
SCHEMBL21617281 0.78 GPR132 (0.52) CHRM4

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
EP-3820850-B1 PHENYL/PYRIDYL-N-PHENYL/PYRIDYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2026-04-01 — — EP disclosed
CN-112638877-B Phenyl/pyridinyl-N-phenyl/pyridinyl derivatives for the treatment of RNA viral infections ABIVAX公司 2025-04-22 — — CN disclosed
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