SCHEMBL27761660

SCHEMBL27761660

CCN(CC)CCn1ccc2c[c]ccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.46
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
HTR6 P50406 3/20 0.42
CDK4 P11802 4/20 0.36
CCND1 P24385 4/20 0.36
PKM P14618 1/20 0.35
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
HTR1D P28221 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
RAD52 P43351 1/20 0.33
RAB9A P51151 1/20 0.33
SMARCA2 P51531 1/20 0.33

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
SCHEMBL188217 0.84 HTR2C (0.61) HTR2AHTR2CHTR6CDK4CCND1
SCHEMBL694594 0.82 CDK4 (0.41) HTR2AHTR2CCDK4CCND1
SCHEMBL5814894 0.80 CDK4 (0.44) HTR2AHTR2CCDK4CCND1POLB
SCHEMBL6754186 0.79 HTR2A (0.50) HTR2AHTR2CCDK4CCND1NOS3
SCHEMBL189124 0.79 CDK4 (0.35) HTR2AHTR2CCDK4CCND1
SCHEMBL2036331 0.78 HTR2A (0.70) SCN9AHTR2AHTR2CHTR6CDK4
SCHEMBL1450476 0.76 CDK4 (0.41) HTR2AHTR2CCDK4CCND1
SCHEMBL27382849 0.76 CDK4 (0.41) HTR2AHTR2CHTR6CDK4CCND1
SCHEMBL3198506 0.75 GLO1 (0.39) HTR2AHTR2CHTR6CDK4CCND1
SCHEMBL16719793 0.74 HTR2A (0.40) HTR2AHTR2CCDK4CCND1HTR1D

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-100558355-C Indole-5 sulfamide derivative and preparation and its purposes as the 5-HT-6 regulator ESTEVE LABOR DR (ES) 2009-11-11 CN disclosed