SCHEMBL4776317

SCHEMBL4776317

O=C(Nc1ccc(C2C3CNCC32)cc1)Nc1cccc2cnccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.60
DDX3X O00571 2/20 0.51
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
CDK5 Q00535 1/20 0.49
MAPT P10636 4/20 0.48
KDM4E B2RXH2 3/20 0.48
GALK1 P51570 1/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
IMPDH2 P12268 2/20 0.47
HTT P42858 2/20 0.47
THRB P10828 1/20 0.47
BLM P54132 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
CASP3 P42574 1/20 0.47

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
SCHEMBL4777937 0.85 TRPV1 (0.58) TRPV1CCNE1CDK2CDK5MAPT
Hydrochloric Acid SCHEMBL4780347 0.84 TRPV1 (0.58) TRPV1CCNE1CDK2CDK5MAPT
SCHEMBL4779521 0.84 TRPV1 (0.55) TRPV1CCNE1CDK2CDK5MAPT
SCHEMBL4778200 0.83 TRPV1 (0.55) TRPV1DDX3XCCNE1CDK2CDK5
SCHEMBL4778198 0.83 TRPV1 (0.55) TRPV1DDX3X
SCHEMBL4777140 0.82 TRPV1 (0.55) TRPV1CCNE1CDK2CDK5
SCHEMBL13151501 0.79 TRPV1 (0.73) TRPV1MAPTKDM4EALDH1A1MEN1
SCHEMBL4778078 0.79 TRPV1 (0.48) TRPV1CCNE1CDK2CDK5
SCHEMBL5660097 0.79 TRPV1 (0.71) TRPV1CCNE1CDK2CDK5
SCHEMBL4777153 0.77 TRPV1 (0.51) TRPV1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO claimed
WO-2008010061-A2 3-AZABICYCLO [3.1.0] HEXANE VANILLOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (US) 2008-01-24 WO disclosed