SCHEMBL31504401

SCHEMBL31504401

CC(C)CCNC(=O)c1cccc(Nc2ccc(OCc3ccccn3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPR132 Q9UNW8 1/20 0.48
▸ MAPK14 Q16539 3/20 0.47
▸ SMO Q99835 3/20 0.47
▸ TP53 P04637 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ CNR1 P21554 1/20 0.45
▸ PARP10 Q53GL7 1/20 0.45
▸ NR1H4 Q96RI1 1/20 0.45
▸ NAMPT P43490 1/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ ACACB O00763 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ADAMTS4 O75173 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL21617163 1.00 GPR132 (0.48) GPR132MAPK14SMOTP53RXFP1
SCHEMBL31504407 0.88 SMO (0.46) GPR132MAPK14SMOTP53RXFP1
SCHEMBL21617162 0.88 SMO (0.46) GPR132MAPK14SMOTP53RXFP1
SCHEMBL21617269 0.87 BRD4 (0.44) GPR132MAPK14SMOTP53RXFP1
SCHEMBL31504444 0.87 BRD4 (0.44) GPR132MAPK14SMOTP53RXFP1
SCHEMBL21617282 0.85 GPR132 (0.46) GPR132MAPK14SMOPARP10BRD4
SCHEMBL21617255 0.84 CNR2 (0.42) GPR132MAPK14SMOTP53RXFP1
SCHEMBL31504418 0.84 CNR2 (0.42) GPR132MAPK14SMOTP53RXFP1
SCHEMBL21617295 0.84 ALDH1A1 (0.52) GPR132MAPK14SMOPARP10ACACB
SCHEMBL21617274 0.84 GPR132 (0.45) GPR132MAPK14SMOPARP10NR1H4

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
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