SCHEMBL31504432

SCHEMBL31504432

O=C(NCCC1CCCC1)c1cccc(Nc2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 9/20 0.56
▸ NR1H4 Q96RI1 2/20 0.50
▸ RAB9A P51151 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ BRD4 O60885 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL21617200 1.00 CHRM4 (0.56) CHRM4NR1H4RAB9ANPC1SMN1; SMN2
SCHEMBL21617167 0.87 CHRM4 (0.47) CHRM4
SCHEMBL31504330 0.87 CHRM4 (0.47) CHRM4
SCHEMBL31504383 0.87 GPR132 (0.44) CHRM4MEN1KMT2A
SCHEMBL21617201 0.87 GPR132 (0.44) CHRM4MEN1KMT2A
SCHEMBL21617205 0.86 CHRM4 (0.49) CHRM4NR1H4RAB9ANPC1SMN1; SMN2
SCHEMBL31504443 0.86 HPGD (0.45) CHRM4MEN1KMT2A
SCHEMBL21617285 0.86 HPGD (0.45) CHRM4MEN1KMT2A
SCHEMBL21617216 0.86 CHRM4 (0.50) CHRM4NR1H4RAB9ANPC1SMN1; SMN2
SCHEMBL31504379 0.86 CHRM4 (0.50) CHRM4NR1H4RAB9ANPC1SMN1; SMN2

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-112638877-B Phenyl/pyridinyl-N-phenyl/pyridinyl derivatives for the treatment of RNA viral infections ABIVAX公司 2025-04-22 — — CN disclosed
Send feedback