SCHEMBL9544341

SCHEMBL9544341

N#CC1CC1(c1ccccc1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.36
ADORA2A P29274 2/20 0.36
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
CCR1 P32246 1/20 0.33
OPRL1 P41146 1/20 0.32
HTR2C P28335 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2B P41595 1/20 0.31
AR P10275 1/20 0.31
MAOB P27338 4/20 0.31
MAOA P21397 3/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TACR1 P25103 1/20 0.31

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
SCHEMBL9543115 0.86 MAOB (0.39) KDM1AARMAOBMAOA
SCHEMBL9542009 0.74 SMN1; SMN2 (0.40) ADORA1ADORA2ACCR1OPRL1AR
SCHEMBL9540473 0.71 HTR2C (0.50) HTR2CHTR2AHTR2BMAOB
SCHEMBL7106851 0.68 SLC6A2 (0.37)
SCHEMBL11590936 0.68 CHRM2 (0.44) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL28580177 0.65 MAOB (0.38) KDM1ARCOR1MAOBMAOA
SCHEMBL11883593 0.63 DPP4 (0.35) KDM1AMAOBMAOAMEN1KMT2A
SCHEMBL9543164 0.62 TACR1 (0.36) KDM1ARCOR1OPRL1MEN1MAPT
SCHEMBL11882335 0.62 MAOB (0.44) KDM1AARMAOBMAOA
SCHEMBL11591387 0.60 SLC6A3 (0.42) HTR2CHTR2AHTR2B

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-1993015100-A1 NOVEL ADENOSINE DERIVATIVES, THEIR PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LABORATOIRES UPSA (FR) 1993-08-05 WO disclosed