SCHEMBL4049858

SCHEMBL4049858

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.51
PLA2G2A P14555 2/20 0.45
HTR3A P46098 2/20 0.40
CNR2 P34972 2/20 0.39
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.35
MTNR1B P49286 3/20 0.35
MTNR1A P48039 2/20 0.35
KMT2A Q03164 1/20 0.34
ALOX5 P09917 1/20 0.34
APLNR P35414 1/20 0.34
ROCK1 Q13464 1/20 0.34
BRD4 O60885 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL13691245 1.00 CNR1 (0.51) CNR1PLA2G2AHTR3ACNR2ALDH1A1
SCHEMBL4052321 0.92 CNR1 (0.49) CNR1PLA2G2ACNR2ALDH1A1POLB
SCHEMBL13690572 0.90 CNR1 (0.57) CNR1PLA2G2AHTR3ACNR2ALDH1A1
SCHEMBL4049548 0.90 CNR1 (0.57) CNR1PLA2G2AHTR3ACNR2ALDH1A1
SCHEMBL4050539 0.90 CNR1 (0.47) CNR1PLA2G2AHTR3ACNR2ALDH1A1
SCHEMBL4055448 0.89 CNR1 (0.52) CNR1CNR2ROCK1HTR2CSLC6A4
SCHEMBL13690575 0.88 CNR1 (0.46) CNR1PLA2G2AHTR3ACNR2ALDH1A1
SCHEMBL4059315 0.88 CNR1 (0.49) CNR1PLA2G2AHTR3ACNR2ALDH1A1
SCHEMBL13690556 0.88 CNR1 (0.49) CNR1PLA2G2AHTR3ACNR2ALDH1A1
SCHEMBL4051743 0.87 CNR1 (0.67) CNR1HTR3ACNR2

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