SCHEMBL8339762

SCHEMBL8339762

Cc1cc(N2CCN(c3cc(C)c(Cl)nn3)CC2)nnc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.43
KMT2A Q03164 3/20 0.37
CYP1A2 P05177 1/20 0.37
KDM4E B2RXH2 3/20 0.37
PKM P14618 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
BPTF Q12830 1/20 0.35
GAA P10253 2/20 0.35
EGFR P00533 1/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH4 Q9H3N8 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
SCHEMBL1073052 0.87 KMT2A (0.51) KMT2ACYP1A2KDM4EHSD17B10MEN1
SCHEMBL8339191 0.87 BPTF (0.53) KMT2ACYP1A2KDM4EHSD17B10MEN1
SCHEMBL13407136 0.87 SMO (0.41) TRPV1
Hydrochloric Acid SCHEMBL8327953 0.86 BPTF (0.51) KMT2ACYP1A2KDM4EHSD17B10MEN1
SCHEMBL13407139 0.83 TRPV1 (0.36) TRPV1KDM4EHSD17B10HTR3AHRH4
SCHEMBL9310525 0.82 BPTF (0.47) KMT2ACYP1A2KDM4EHSD17B10MEN1
SCHEMBL9310481 0.81 MAPT (0.53) KMT2AKDM4EMEN1RAB9AGAA
SCHEMBL23432512 0.77 HSD17B10 (0.34) TRPV1CYP1A2HSD17B10
SCHEMBL3714117 0.77 TRPV1 (0.46) TRPV1HRH4
SCHEMBL2743005 0.77 TRPV1 (0.46) TRPV1HRH4

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
WO-2004011441-A1 PYRIDAZINYLPIPERAZINE DERIVATIVES FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2004-02-05 WO disclosed