SCHEMBL11533359

SCHEMBL11533359

CCCCCCCCNCc1ccc(N(C(C)(C)C)C(C)(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.62
HRH3 Q9Y5N1 1/20 0.62
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C19 P33261 2/20 0.57
CHRM2 P08172 4/20 0.50
S1PR1 P21453 7/20 0.49
S1PR3 Q99500 7/20 0.49
S1PR2 O95136 5/20 0.49
S1PR4 O95977 3/20 0.49
LPAR2 Q9HBW0 2/20 0.47
S1PR5 Q9H228 1/20 0.47
MAOA P21397 1/20 0.46

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
SCHEMBL11532036 1.00 HRH4 (0.62) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL11529676 1.00 HRH4 (0.62) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL11529810 0.95 HRH4 (0.59) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL11529766 0.88 HRH4 (0.49) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL10747074 0.84 HRH4 (0.84) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL9259496 0.84 HRH4 (0.84) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL10748421 0.84 HRH4 (0.84) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL9637156 0.84 HRH4 (0.84) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL7353249 0.83 HRH4 (0.66) HRH4HRH3LMNASMN1; SMN2CYP1A2
SCHEMBL11525991 0.83 HRH4 (0.66) HRH4HRH3LMNASMN1; SMN2CYP1A2

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-4157343-A Preparation of aromatic diamines UOP INC. (US) 1979-06-05 US disclosed