SCHEMBL27467830

SCHEMBL27467830

CN1C=CC(n2ccc3cc(Cl)ccc32)=CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
RXFP1 Q9HBX9 1/20 0.34
SLC6A2 P23975 2/20 0.34
ROCK2 O75116 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
BIRC5 O15392 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 1/20 0.32
AHR P35869 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
OXER1 Q8TDS5 1/20 0.32
HTR6 P50406 3/20 0.31
KDM4E B2RXH2 1/20 0.31
HCRTR1 O43613 1/20 0.31
MAPT P10636 1/20 0.31
CASP1 P29466 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
SCHEMBL6802020 0.69 SLC6A4 (0.40) HTR2AHTR2CRXFP1MEN1KMT2A
SCHEMBL1092569 0.66 PRKCI (0.59) HTR2AHTR2CSLC6A2CDK4CCND1
SCHEMBL4557834 0.64 BIRC5 (0.62) HTR2AHTR2CSLC6A2ROCK2PIM1
SCHEMBL6623547 0.62 SLC6A2 (0.51) HTR2AHTR2CRXFP1SLC6A2CDK4
SCHEMBL31202712 0.62 BRPF1 (0.62) RXFP1
SCHEMBL11549772 0.62 MAPT (0.65) HTR2AHTR2CRXFP1MEN1KMT2A
SCHEMBL4554327 0.62 MAPK8 (0.38) HTR2AHTR2CRXFP1SLC6A2ROCK2
SCHEMBL12643016 0.62 ALDH1A1 (0.44) HTR2AHTR2CROCK2PIM1PIM3
SCHEMBL4295429 0.62 KCNH2 (0.60) ROCK2PIM1PIM3BIRC5
SCHEMBL28337477 0.62 RPS6KA5 (0.47) HTR2AHTR2CSLC6A2ROCK2PIM1

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
CN-1154105-A 4-aryl-1-(indanmethyl, dihydrobenzofuranmethyl or dihydrobenzothiophenemethyl) piperidines, tetrahydropyridines or piperazines LUNDBECK & CO AS H (DK) 1997-07-09 CN disclosed