SCHEMBL9987463

SCHEMBL9987463

CCn1c2ccccc2c2cc(CN3CCC(C)CC3)ccc21

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.71
MAPT P10636 7/20 0.71
SMN1; SMN2 Q16637 3/20 0.65
THRB P10828 1/20 0.65
GAA P10253 1/20 0.63
MCHR2 Q969V1 5/20 0.61
LMNA P02545 3/20 0.60
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
FAAH O00519 1/20 0.58
MCHR1 Q99705 1/20 0.58
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
ALOX12 P18054 1/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
CNR2 P34972 2/20 0.57

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
SCHEMBL9986903 0.89 TP53 (0.70) TP53MAPTSMN1; SMN2THRBGAA
SCHEMBL9986187 0.87 TP53 (0.78) TP53MAPTSMN1; SMN2THRBGAA
SCHEMBL9986423 0.85 TP53 (0.62) TP53MAPTSMN1; SMN2THRBGAA
SCHEMBL9986642 0.85 TP53 (0.64) TP53MAPTSMN1; SMN2THRBGAA
SCHEMBL9987715 0.84 TP53 (0.79) TP53MAPTSMN1; SMN2THRBGAA
SCHEMBL9986789 0.83 TP53 (0.73) TP53MAPTSMN1; SMN2THRBGAA
SCHEMBL9986621 0.83 TP53 (0.73) TP53MAPTSMN1; SMN2THRBGAA
SCHEMBL27275930 0.80 MAPT (0.68) TP53MAPTSMN1; SMN2THRBGAA
SCHEMBL28806385 0.79 TP53 (0.66) TP53MAPTSMN1; SMN2THRBGAA
SCHEMBL9986893 0.78 TP53 (0.58) TP53MAPTSMN1; SMN2THRBGAA

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