SCHEMBL7974993

SCHEMBL7974993

c1ccc(CC2CCN(Cc3ccnc(-c4ccccc4)n3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
MAPK1 P28482 1/20 0.60
KDM4E B2RXH2 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CCR3 P51677 2/20 0.57
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.49
TSHR P16473 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2B Q13224 1/20 0.49
ATM Q13315 4/20 0.49
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 2/20 0.48
GLA P06280 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PRMT3 O60678 1/20 0.47

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 SCHEMBL7968770 0.99 LMNA (0.59) LMNAMAPK1KDM4ESMN1; SMN2CCR3
SCHEMBL7958713 0.80 CCR3 (0.60) LMNAMAPK1KDM4ESMN1; SMN2CCR3
Hydrochloric Acid SCHEMBL7958693 0.75 CCR3 (0.61) LMNAMAPK1KDM4ESMN1; SMN2CCR3
SCHEMBL2004615 0.74 CCR3 (1.00) KDM4ECCR3ALDH1A1MAPTATM
SCHEMBL8191786 0.73 CCR3 (0.96) KDM4ECCR3ALDH1A1MAPTATM
SCHEMBL7977320 0.73 CCR3 (0.96) KDM4ECCR3ALDH1A1MAPTATM
SCHEMBL7423861 0.71 CCR3 (0.58) LMNAMAPK1KDM4ESMN1; SMN2CCR3
SCHEMBL8834337 0.71 CCR3 (0.55) LMNAMAPK1KDM4ESMN1; SMN2CCR3
SCHEMBL8574775 0.70 GRIN2B (0.62) KDM4ESMN1; SMN2CCR3ALDH1A1MAPT
SCHEMBL3260707 0.70 NR1H2 (0.46) LMNAMAPK1KDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6281359-B1 PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2001-08-28 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
EP-0793662-A1 AMINOMETHYL ARYL COMPOUNDS; DOPAMINE RECEPTOR SUBTYPE SELECTIVE LIGANDS NEUROGEN CORPORATION (US) 1997-09-10 EP disclosed
US-5594141-A ANTIPSYCHOTIC AND ANTIDEPRESSANT AGENTS; PARKINSON'S DISEASE NEUROGEN CORPORATION (US) 1997-01-14 US disclosed
WO-1996016058-A1 AMINOMETHYL ARYL COMPOUNDS; DOPAMINE RECEPTOR SUBTYPE SELECTIVE LIGANDS NEUROGEN CORPORATION (US) 1996-05-30 WO disclosed