SCHEMBL30105070

SCHEMBL30105070

O=C(Nc1cc(Cl)cc(NCCO)c1)Nc1cc(Cl)cc(Cl)c1CCO

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.43
P2RY1 P47900 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
DHODH Q02127 1/20 0.39
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
KDR P35968 1/20 0.36
CHRNA7 P36544 1/20 0.35
GRIK1 P39086 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL23831945 1.00 TRPV1 (0.43) TRPV1P2RY1MEN1KMT2ADHODH
SCHEMBL23831599 0.94 TRPV1 (0.41) TRPV1P2RY1MEN1KMT2ADHODH
SCHEMBL30104957 0.94 TRPV1 (0.41) TRPV1P2RY1MEN1KMT2ADHODH
SCHEMBL30105325 0.93 TRPV1 (0.41) TRPV1P2RY1MEN1KMT2ADHODH
SCHEMBL23831876 0.93 TRPV1 (0.41) TRPV1P2RY1MEN1KMT2ADHODH
SCHEMBL23831738 0.92 TRPV1 (0.41) TRPV1P2RY1MEN1KMT2ADHODH
SCHEMBL30105197 0.92 TRPV1 (0.41) TRPV1P2RY1MEN1KMT2ADHODH
SCHEMBL23831971 0.91 P2RY1 (0.40) TRPV1P2RY1MEN1KMT2ADHODH
SCHEMBL30104991 0.91 P2RY1 (0.40) TRPV1P2RY1MEN1KMT2ADHODH
SCHEMBL23832110 0.90 MAPT (0.41) TRPV1MEN1KMT2AMAPTRAB9A

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-4121415-A1 INHIBITORS OF CYTOKININ OXIDASE DERIVED FROM 1-[2-(HYDROXYALKYL)PHENYL]-3-YLUREA, USE THEREOF AND PREPARATIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2023-01-25 EP disclosed