SCHEMBL9986187

SCHEMBL9986187

CCn1c2ccccc2c2cc(CN3CCCC3)ccc21

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.78
MAPT P10636 8/20 0.78
CNR2 P34972 2/20 0.73
SMN1; SMN2 Q16637 5/20 0.71
THRB P10828 1/20 0.71
GAA P10253 1/20 0.68
LMNA P02545 4/20 0.65
ALDH1A1 P00352 4/20 0.65
KDM4E B2RXH2 2/20 0.65
MCHR2 Q969V1 3/20 0.64
FAAH O00519 1/20 0.63
MCHR1 Q99705 1/20 0.63
HPGD P15428 3/20 0.61
TSHR P16473 1/20 0.61
ALOX12 P18054 1/20 0.61
HTT P42858 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61

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
SCHEMBL9987715 0.89 TP53 (0.79) TP53MAPTCNR2SMN1; SMN2THRB
SCHEMBL9986621 0.88 TP53 (0.73) TP53MAPTCNR2SMN1; SMN2THRB
SCHEMBL9986789 0.88 TP53 (0.73) TP53MAPTCNR2SMN1; SMN2THRB
SCHEMBL9987463 0.87 TP53 (0.71) TP53MAPTCNR2SMN1; SMN2THRB
SCHEMBL9986903 0.85 TP53 (0.70) TP53MAPTSMN1; SMN2THRBGAA
SCHEMBL9986423 0.85 TP53 (0.62) TP53MAPTCNR2SMN1; SMN2THRB
SCHEMBL27275930 0.85 MAPT (0.68) TP53MAPTSMN1; SMN2THRBGAA
SCHEMBL9986893 0.82 TP53 (0.58) TP53MAPTCNR2SMN1; SMN2THRB
SCHEMBL9987063 0.81 TP53 (0.57) TP53MAPTCNR2SMN1; SMN2THRB
SCHEMBL9986642 0.81 TP53 (0.64) TP53MAPTCNR2SMN1; SMN2THRB

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
US-8080566-B1 Carbazole inhibitors of histamine receptors for the treatment of disease KALYPSYS, INC (US) 2011-12-20 US disclosed
US-8080566-B1 Carbazole inhibitors of histamine receptors for the treatment of disease KALYPSYS, INC (US) 2011-12-20 US disclosed
US-8080566-B1 Carbazole inhibitors of histamine receptors for the treatment of disease KALYPSYS, INC (US) 2011-12-20 US disclosed