SCHEMBL7972133

SCHEMBL7972133

COc1ccc(-c2ccccc2)cc1CN1CCN(c2ncccn2)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
KDM4E B2RXH2 3/20 0.62
MAPK1 P28482 1/20 0.62
DRD2 P14416 4/20 0.61
DRD4 P21917 4/20 0.61
DRD3 P35462 4/20 0.61
ALDH1A1 P00352 2/20 0.61
TSHR P16473 2/20 0.61
GAA P10253 1/20 0.52
POLB P06746 1/20 0.51
HTR7 P34969 1/20 0.51
HSP90AB1 P08238 1/20 0.51

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
Hydrochloric Acid SCHEMBL7968793 0.99 MEN1 (0.62) MEN1KMT2AKDM4EMAPK1DRD2
SCHEMBL7958652 0.83 KMT2A (0.66) MEN1KMT2AKDM4EMAPK1DRD2
SCHEMBL2162623 0.81 MEN1 (0.63) MEN1KMT2AKDM4EMAPK1DRD2
SCHEMBL7969465 0.80 DRD2 (0.74) MEN1KMT2AKDM4EMAPK1DRD2
Hydrochloric Acid SCHEMBL7959100 0.79 DRD2 (0.72) MEN1KMT2AKDM4EMAPK1DRD2
SCHEMBL3585542 0.76 ALDH1A1 (1.00) MEN1KMT2AKDM4EDRD2DRD4
SCHEMBL7496929 0.76 DRD4 (1.00) MEN1KMT2AKDM4EMAPK1DRD2
Hydrochloric Acid SCHEMBL7989096 0.75 DRD4 (0.98) MEN1KMT2AKDM4EMAPK1DRD2
SCHEMBL6139458 0.75 KMT2A (0.72) MEN1KMT2AKDM4EMAPK1DRD2
SCHEMBL7500264 0.75 ALDH1A1 (0.66) MEN1KMT2AKDM4EDRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6281359-B1 PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2001-08-28 US disclosed
US-6221871-B1 TREATING SCHIZOPHRENIA, DEPRESSION OR PARKINSON'S DISEASE NEUROGEN CORPORATION 2001-04-24 US disclosed
US-5912350-A Certain aminomethyl biphenyl, aminomethyl phenyl pyridine and aminomethyl phenyl pyrimidine derivatives; novel dopamine receptor subtype selective ligands NEUROGEN CORPORATION (US) 1999-06-15 US disclosed
US-5677454-A DIAGNOSIS, THERAPY OF SCHIZOPHRENIA, DEPRESSION, PARKINSONISM NEUROGEN CORPORATION (US) 1997-10-14 US disclosed
US-5594141-A ANTIPSYCHOTIC AND ANTIDEPRESSANT AGENTS; PARKINSON'S DISEASE NEUROGEN CORPORATION (US) 1997-01-14 US disclosed