SCHEMBL8637549

SCHEMBL8637549

CCCCc1ccc(C(C)CN)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.56
TAAR1 Q96RJ0 2/20 0.50
CA2 P00918 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CA1 P00915 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
SKP2 Q13309 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
UCHL3 P15374 1/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL7639716 0.93 HTR2A (0.66) HTR2ATAAR1CA2ALDH1A1HSD17B10
SCHEMBL6182941 0.88 TAAR1 (0.54) HTR2ATAAR1CA2ALDH1A1HPGD
SCHEMBL10977710 0.84 CA2 (0.47) HTR2ACA2SMN1; SMN2CA1ALDH1A1
SCHEMBL27718310 0.82 CA2 (0.46) HTR2ACA2SMN1; SMN2CA1ALDH1A1
SCHEMBL30368395 0.82 CA2 (0.46) HTR2ACA2SMN1; SMN2CA1ALDH1A1
SCHEMBL23522328 0.81 TAAR1 (0.47) HTR2ATAAR1CA2ESR1
SCHEMBL11686889 0.80 HTR2A (0.50) HTR2ACA2SMN1; SMN2CA1ALDH1A1
SCHEMBL29342569 0.80 HTR2A (0.50) HTR2ACA2SMN1; SMN2CA1ALDH1A1
SCHEMBL29342921 0.80 HTR2A (0.50) HTR2ACA2SMN1; SMN2CA1ALDH1A1
SCHEMBL8090819 0.79 UCHL3 (0.56) HTR2ACA2SMN1; SMN2CA1ALDH1A1

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
WO-1998033496-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1998-08-06 WO disclosed