SCHEMBL9784433

SCHEMBL9784433

CCCCCCCNCc1ccc(CCCC)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.72
HRH3 Q9Y5N1 1/20 0.72
LMNA P02545 1/20 0.69
S1PR1 P21453 10/20 0.69
S1PR3 Q99500 10/20 0.69
S1PR2 O95136 8/20 0.69
S1PR4 O95977 5/20 0.69
SMN1; SMN2 Q16637 1/20 0.68
CYP1A2 P05177 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C19 P33261 1/20 0.66
LPAR2 Q9HBW0 3/20 0.65
S1PR5 Q9H228 1/20 0.65
SIGMAR1 Q99720 3/20 0.61
CHRM2 P08172 1/20 0.58

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
SCHEMBL19217017 0.96 S1PR1 (0.73) HRH4HRH3LMNAS1PR1S1PR3
SCHEMBL13093971 0.92 HRH4 (0.66) HRH4HRH3LMNAS1PR1S1PR3
SCHEMBL10747074 0.92 HRH4 (0.84) HRH4HRH3LMNAS1PR1S1PR3
SCHEMBL9637156 0.92 HRH4 (0.84) HRH4HRH3LMNAS1PR1S1PR3
SCHEMBL9259496 0.92 HRH4 (0.84) HRH4HRH3LMNAS1PR1S1PR3
SCHEMBL10748421 0.92 HRH4 (0.84) HRH4HRH3LMNAS1PR1S1PR3
SCHEMBL25701654 0.91 HRH4 (0.70) HRH4HRH3LMNAS1PR1S1PR3
SCHEMBL10045140 0.90 HRH4 (0.63) HRH4HRH3LMNAS1PR1S1PR3
SCHEMBL1810044 0.90 HRH4 (0.60) HRH4HRH3LMNAS1PR1S1PR3
SCHEMBL9784468 0.90 S1PR1 (0.61) HRH4HRH3LMNAS1PR1S1PR3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5003106-A Antiatherosclerotic ureas and thioureas AMERICAN CYANAMID COMPANY (US) 1991-03-26 US disclosed
US-4623662-A ANTICHOLESTEROL, ANTILIPEMIC AMERICAN CYANAMID COMPANY (US) 1986-11-18 US disclosed