SCHEMBL7653403

SCHEMBL7653403

CCCCc1cc(-c2ccccc2C=O)cc(CCCC)c1Cn1cncn1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.37
CYP11B1 P15538 1/20 0.34
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNB3 Q05901 1/20 0.32

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
SCHEMBL7654440 0.74 CYP19A1 (0.56) CYP19A1HTTSMN1; SMN2
SCHEMBL16494597 0.71 CYP19A1 (0.53) CYP19A1
SCHEMBL2179847 0.68 LIPG (0.42) HTTSMN1; SMN2
SCHEMBL9652691 0.66 HSD11B1 (0.45)
SCHEMBL9800774 0.65 NR1H2 (0.39)
SCHEMBL266417 0.64 LIPG (0.47) HTTSMN1; SMN2
SCHEMBL17450350 0.63 CYP19A1 (0.58) CYP19A1CYP11B1
SCHEMBL31734211 0.63 LIPG (0.46) HTTSMN1; SMN2
SCHEMBL4861353 0.63 PSMB5 (0.49) SMN1; SMN2
SCHEMBL28080183 0.62 LIPG (0.42) HTTSMN1; SMN2

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
US-6358984-B1 FOR THERAPY OF HYPERTENSION AND/OR DISEASES SUCH AS HEART AND RENAL DISEASES LEAD CHEMICAL CO., LTD. (JP) 2002-03-19 US disclosed