SCHEMBL9031885

SCHEMBL9031885

CC(C)CC(C)Cn1ccc2c[c]ccc21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.37
HTR2A P28223 11/20 0.37
NTSR1 P30989 2/20 0.33
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HTR2B P41595 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
SCHEMBL6229841 0.87 HTR2C (0.41) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL5810358 0.86 HTR2C (0.38) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL698157 0.78 HTR2C (0.40) HTR2CHTR2ACYP1A2CYP3A4CYP2C9
SCHEMBL189124 0.75 CDK4 (0.35) HTR2CHTR2A
SCHEMBL694594 0.72 CDK4 (0.41) HTR2CHTR2A
SCHEMBL6228700 0.72 CDK4 (0.35)
SCHEMBL6231638 0.71 HTR2C (0.33) HTR2CHTR2A
SCHEMBL6400236 0.71 KMT2A (0.39) HTR2CHTR2A
SCHEMBL16719793 0.71 HTR2A (0.40) HTR2CHTR2A
SCHEMBL6229331 0.71 GRM2 (0.34) HTR2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0511477-B1 Indole derivatives KYOWA HAKKO KOGYO KK (JP) 1996-07-10 EP disclosed
EP-0511477-A1 Indole derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-11-04 EP disclosed