SCHEMBL28527229

SCHEMBL28527229

O=C(Cc1ccc2ncccc2c1)N1CCC(Nc2c([N+](=O)[O-])cccc2C(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 11/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ CCR3 P51677 1/20 0.40
▸ ENPP2 Q13822 1/20 0.39
▸ RORC P51449 1/20 0.38
▸ RBP4 P02753 1/20 0.38
▸ ULK1 O75385 1/20 0.38
▸ ULK2 Q8IYT8 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ ECE2 P0DPD6 1/20 0.37
▸ MLNR O43193 1/20 0.37

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
SCHEMBL22588162 0.87 HDAC3 (0.45) SYKTRPV1CCR3RBP4ULK1
SCHEMBL31285878 0.84 MAPK1 (0.48) SYKTRPV1CCR3ECE2
SCHEMBL22587986 0.84 MAPK1 (0.48) SYKTRPV1CCR3ECE2
SCHEMBL22587961 0.76 MAPK1 (0.41) TRPV1ENPP2RBP4POLB
SCHEMBL29619918 0.74 CCR3 (0.44) TRPV1CCR3RORCRBP4POLB
SCHEMBL30317255 0.74 CCR3 (0.44) TRPV1CCR3RORCRBP4POLB
SCHEMBL22587689 0.74 MLNR (0.48) ENPP2POLBMLNR
SCHEMBL31285920 0.74 MLNR (0.48) ENPP2POLBMLNR
SCHEMBL31285877 0.74 CCR3 (0.43) TRPV1CCR3RORCRBP4POLB
SCHEMBL22605545 0.74 CCR3 (0.43) TRPV1CCR3RORCRBP4POLB

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-111848598-A Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound 健艾仕生物医药有限公司 2020-10-30 — — CN disclosed
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