SCHEMBL11765485

SCHEMBL11765485

NC1CCC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.50
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
SLC6A3 Q01959 7/20 0.39
SLC6A4 P31645 6/20 0.39
SLC6A2 P23975 3/20 0.39
RCOR1 Q9UKL0 2/20 0.38
CCNB2 O95067 2/20 0.37
CDK1 P06493 2/20 0.37
CCNB1 P14635 2/20 0.37
GSK3B P49841 2/20 0.37
CDK5 Q00535 2/20 0.37
CDK5R1 Q15078 2/20 0.37
CCNB3 Q8WWL7 2/20 0.37
BACE1 P56817 1/20 0.37
HTR2C P28335 1/20 0.36
DRD2 P14416 1/20 0.35

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
SCHEMBL11571053 0.93 KDM1A (0.47) KDM1AMAOAMAOBRCOR1
SCHEMBL11572399 0.80 OPRL1 (0.52) KDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL11569798 0.78 OPRL1 (0.50) KDM1AMAOAMAOB
SCHEMBL29218852 0.74 KDM1A (0.47) KDM1AMAOAMAOBSLC6A3SLC6A4
SCHEMBL11761702 0.72 OPRL1 (0.50) KDM1AMAOAMAOBSLC6A4
SCHEMBL9735920 0.71 CCNB2 (0.47) KDM1AMAOAMAOBSLC6A3SLC6A4
SCHEMBL11767328 0.68 KDM1A (0.41) KDM1AMAOAMAOBSLC6A3SLC6A4
SCHEMBL11765784 0.68 KDM1A (0.41) KDM1ASLC6A3SLC6A4SLC6A2RCOR1
SCHEMBL5089578 0.68 TET3 (0.51) MAOAMAOB
SCHEMBL4004257 0.68 TET3 (0.51) MAOAMAOB

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-4053637-A ANTIDEPRESSANTS ASTRA LAKEMEDAL AKTIEBOLAG (SW) 1977-10-11 US disclosed