SCHEMBL10789534

SCHEMBL10789534

c1ccc(CNC2CCCCCCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.71
GRIN2B Q13224 3/20 0.67
POLB P06746 2/20 0.61
MEN1 O00255 1/20 0.61
RAB9A P51151 1/20 0.61
KMT2A Q03164 1/20 0.61
BCHE P06276 1/20 0.61
ACHE P22303 1/20 0.61
BACE1 P56817 1/20 0.61
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
PKM P14618 1/20 0.59
EPHX1 P07099 1/20 0.57
HPGD P15428 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57
FABP6 P51161 1/20 0.56
HDAC1 Q13547 1/20 0.56

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
SCHEMBL1847296 1.00 HRH3 (0.71) HRH3GRIN2BPOLBMEN1RAB9A
SCHEMBL24574127 1.00 HRH3 (0.71) HRH3GRIN2BPOLBMEN1RAB9A
SCHEMBL294763 1.00 HRH3 (0.71) HRH3GRIN2BPOLBMEN1RAB9A
Hydrochloric Acid SCHEMBL11782513 0.98 HRH3 (0.69) HRH3GRIN2BPOLBMEN1RAB9A
Hydrochloric Acid SCHEMBL11781778 0.98 HRH3 (0.69) HRH3GRIN2BPOLBMEN1RAB9A
SCHEMBL433970 0.98 GRIN2B (0.69) HRH3GRIN2BPOLBMEN1RAB9A
Bromide SCHEMBL18131548 0.96 HRH3 (0.67) HRH3GRIN2BPOLBMEN1RAB9A
Hydrochloric Acid SCHEMBL11785266 0.96 GRIN2B (0.67) HRH3GRIN2BPOLBMEN1RAB9A
Methyl Alcohol SCHEMBL2137682 0.94 HRH3 (0.65) HRH3GRIN2BPOLBMEN1RAB9A
SCHEMBL4173336 0.94 GRIN2B (0.69) HRH3GRIN2BPOLBMEN1RAB9A

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
EP-0124150-B1 BENZOBICYCLONONANE AMINO DERIVATIVES WITH ANTICONVULSIVE PROPERTIES AKZO N.V. (NL) 1987-11-11 EP disclosed
EP-0124150-A1 Benzobicyclononane amino derivatives with anticonvulsive properties AKZO N.V. (NL) 1984-11-07 EP disclosed