SCHEMBL694595

SCHEMBL694595

CCCc1cc2c[c]ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.39
ADORA2A P29274 1/20 0.39
MPO P05164 1/20 0.36
TPO P07202 1/20 0.36
TSHR P16473 1/20 0.36
LPO P22079 1/20 0.36
CYP2C19 P33261 1/20 0.36
TAS2R38 P59533 1/20 0.36
VCP P55072 1/20 0.36
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
LOXL2 Q9Y4K0 3/20 0.35
HRH3 Q9Y5N1 4/20 0.34
CHRNA7 P36544 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
BCHE P06276 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK10 P53779 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
SCHEMBL7064423 0.88 ADORA1 (0.38) ADORA1ADORA2AMPOTPOTSHR
SCHEMBL189125 0.85 LOXL2 (0.37) VCPMTNR1AMTNR1BLOXL2KDM4E
SCHEMBL5178946 0.82 MTNR1A (0.36) MTNR1AMTNR1BLOXL2HRH3CHRNA7
SCHEMBL188218 0.81 GAA (0.35) MTNR1AMTNR1BLOXL2HRH3GAA
SCHEMBL5778675 0.79 RHEB (0.37) MTNR1AMTNR1BLOXL2HRH3KDM4E
SCHEMBL5778097 0.79 DAO (0.39) MTNR1AMTNR1BLOXL2HRH3CHRNA7
SCHEMBL1662293 0.78 CYP1A2 (0.41) MTNR1AMTNR1BKDM4EHSD17B10
SCHEMBL6028297 0.78 CTSV (0.39) MTNR1AMTNR1BBCHEKMT2ACTSV
SCHEMBL2562389 0.78 RHEB (0.36) MTNR1AMTNR1BLOXL2
SCHEMBL5777901 0.76 MTNR1A (0.41) TSHRVCPMTNR1AMTNR1BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421852-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
WO-2010124121-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
EP-2421852-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
WO-2010124121-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed