SCHEMBL4049548

SCHEMBL4049548

COc1ccc2c(c1)c(C(=O)N[C@H](C(N)=O)C(C)(C)C)nn2CC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.57
CNR2 P34972 6/20 0.49
PLA2G2A P14555 2/20 0.47
HTR3A P46098 2/20 0.43
MTNR1B P49286 3/20 0.37
ALOX5 P09917 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MTNR1A P48039 2/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL13690572 1.00 CNR1 (0.57) CNR1CNR2PLA2G2AHTR3AMTNR1B
SCHEMBL4056551 0.91 CNR1 (0.55) CNR1CNR2PLA2G2APOLBALDH1A1
SCHEMBL4049858 0.90 CNR1 (0.51) CNR1CNR2PLA2G2AHTR3AMTNR1B
SCHEMBL13691245 0.90 CNR1 (0.51) CNR1CNR2PLA2G2AHTR3AMTNR1B
SCHEMBL13690556 0.89 CNR1 (0.49) CNR1CNR2PLA2G2AHTR3AALDH1A1
SCHEMBL4059315 0.89 CNR1 (0.49) CNR1CNR2PLA2G2AHTR3AALDH1A1
SCHEMBL13691014 0.88 CNR1 (0.60) CNR1CNR2HTR3AHTR2CSLC6A4
SCHEMBL4053561 0.88 CNR1 (0.60) CNR1CNR2HTR3AHTR2CSLC6A4
SCHEMBL4050445 0.88 CNR1 (0.59) CNR1CNR2HTR2CSLC6A4
SCHEMBL13691249 0.88 CNR1 (0.59) CNR1CNR2HTR2CSLC6A4

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-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO claimed