SCHEMBL15715919

SCHEMBL15715919

O=C1c2ccccc2CC1N1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.56
TSHR P16473 1/20 0.50
ACHE P22303 6/20 0.49
CHRNA7 P36544 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR1A P08908 2/20 0.41
DRD2 P14416 2/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
HTR2B P41595 1/20 0.40
DDAH1 O94760 1/20 0.40

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
SCHEMBL4525381 0.85 METAP1 (0.49) METAP1TSHRACHECHRNA7ALDH1A1
SCHEMBL29608349 0.83 POLB (0.48) METAP1ACHEALDH1A1TDP1
SCHEMBL7620135 0.80 METAP1 (0.47) METAP1ACHECHRNA7
SCHEMBL7623809 0.78 CHRNA7 (0.46) METAP1ACHECHRNA7
SCHEMBL10427066 0.75 ACHE (0.52) METAP1TSHRACHEALDH1A1TDP1
SCHEMBL28793895 0.75 ACHE (0.52) METAP1TSHRACHEALDH1A1TDP1
SCHEMBL31727672 0.75 ACHE (0.52) METAP1TSHRACHEKDM4EHTR1A
SCHEMBL18825273 0.74 ACHE (0.50) METAP1ACHEHTR1ADRD2HTR2A
SCHEMBL11034800 0.74 TSHR (0.47) METAP1TSHRCHRNA7ALDH1A1TDP1
SCHEMBL5471012 0.72 METAP1 (1.00) METAP1ACHEHTR1ADRD2HTR2A

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-2014076965-A1 1-INDANE DERIVATIVE HAVING ANTI-PROTOZOAL ACTIVITY 学校法人北里研究所 (JP) 2014-05-22 WO disclosed