SCHEMBL9181549

SCHEMBL9181549

O=C1CCN(Cc2ccccc2)C(=O)c2c1ccn2CCCCN1CCC(c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.49
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR7 P34969 1/20 0.42
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 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
SCHEMBL9039006 0.86 SIGMAR1 (0.47) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL6984315 0.84 HTR1A (0.49) SIGMAR1HTR7DRD2DRD4DRD3
SCHEMBL9580851 0.83 KCNH2 (0.47) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL9041354 0.83 L3MBTL1 (0.39) MEN1KMT2AHTR7
SCHEMBL6988196 0.83 HTR1A (0.50) SIGMAR1HTR7DRD2DRD3
SCHEMBL6991218 0.83 HTR1A (0.50) SIGMAR1HTR7DRD2DRD3
SCHEMBL6988025 0.82 L3MBTL1 (0.39) MEN1KMT2AGRM2
SCHEMBL6990381 0.82 HTR1A (0.49) SIGMAR1HTR7DRD2DRD4DRD3
SCHEMBL6989349 0.82 SIGMAR1 (0.47) SIGMAR1MEN1TP53CYP1A2CYP3A4
SCHEMBL6987269 0.81 L3MBTL1 (0.38) MEN1KMT2AHTR7

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-5416082-A Antiserotonine agents SUNTORY LIMITED (JP) 1995-05-16 US disclosed
US-5391731-A Useful therapeutics for circulatory diseases SUNTORY LIMITED (JP) 1995-02-21 US disclosed
US-5206239-A Cardiovascular disorders SUNTORY LIMITED (JP) 1993-04-27 US disclosed