SCHEMBL15949467

SCHEMBL15949467

COc1ccc(C(=O)N2CC(N3CCN(C(=O)c4ccccc4)CC3)C2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
KDM4E B2RXH2 5/20 0.58
TRPV6 Q9H1D0 2/20 0.53
CYP1A2 P05177 1/20 0.53
MGLL Q99685 4/20 0.53
TP53 P04637 1/20 0.52
GPR6 P46095 1/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HPGD P15428 1/20 0.49
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL15949293 0.87 KMT2A (0.59) ALDH1A1KDM4ETRPV6CYP1A2MGLL
SCHEMBL15949460 0.87 ALDH1A1 (0.58) ALDH1A1KDM4ETRPV6CYP1A2MGLL
SCHEMBL15949448 0.84 ALDH1A1 (0.58) ALDH1A1KDM4ETRPV6CYP1A2MGLL
SCHEMBL15949430 0.84 ALDH1A1 (0.58) ALDH1A1KDM4ETRPV6CYP1A2MGLL
SCHEMBL14647938 0.83 ALDH1A1 (0.51) ALDH1A1KDM4EMGLLKMT2AMEN1
SCHEMBL15949403 0.83 HRH3 (0.54) ALDH1A1KDM4EMGLLKMT2AMEN1
SCHEMBL911026 0.82 ALDH1A1 (0.49) ALDH1A1KDM4ETRPV6CYP1A2MGLL
SCHEMBL14648011 0.82 HPGD (0.52) ALDH1A1KDM4EMGLLKMT2AMEN1
SCHEMBL911597 0.82 ALDH1A1 (0.53) ALDH1A1KDM4ETRPV6CYP1A2MGLL
SCHEMBL694035 0.81 KCNH2 (0.61) ALDH1A1KDM4EMGLLHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421823-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-01-14 EP disclosed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP disclosed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP disclosed