SCHEMBL15949293

SCHEMBL15949293

COc1ccc(C(=O)N2CC(N3CCN(C(=O)c4ccccc4)CC3)C2)cc1Br

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
GLA P06280 1/20 0.59
ALDH1A1 P00352 8/20 0.58
KDM4E B2RXH2 4/20 0.58
LMNA P02545 3/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
TRPV6 Q9H1D0 1/20 0.53
HPGD P15428 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
MGLL Q99685 3/20 0.53
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.48
PKM P14618 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
SCHEMBL15949448 0.91 ALDH1A1 (0.58) KMT2AALDH1A1KDM4ELMNAPOLB
SCHEMBL15949467 0.87 ALDH1A1 (0.58) KMT2AALDH1A1KDM4ELMNATRPV6
SCHEMBL15949460 0.87 ALDH1A1 (0.58) KMT2AALDH1A1KDM4ELMNAPOLB
SCHEMBL15949430 0.84 ALDH1A1 (0.58) KMT2AALDH1A1KDM4ELMNAPOLB
SCHEMBL911597 0.82 ALDH1A1 (0.53) KMT2AALDH1A1KDM4ELMNAPOLB
SCHEMBL693149 0.81 L3MBTL3 (0.59) KMT2AALDH1A1KDM4EPOLBHPGD
SCHEMBL912246 0.80 ALDH1A1 (0.53) KMT2AALDH1A1KDM4ELMNAPOLB
SCHEMBL15949350 0.79 KDM4E (0.60) KMT2AALDH1A1KDM4ELMNAGAA
SCHEMBL912676 0.79 MGLL (0.54) KMT2AALDH1A1KDM4ELMNAPOLB
SCHEMBL694197 0.78 MGLL (0.61) ALDH1A1KDM4ELMNAPOLBHPGD

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