SCHEMBL9425536

SCHEMBL9425536

c1ccc(NCCN2CC[N]CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTR7 P34969 1/20 0.48
CARM1 Q86X55 2/20 0.48
PRMT6 Q96LA8 2/20 0.48
ACHE P22303 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
SLC2A1 P11166 2/20 0.43
POLB P06746 1/20 0.42
DRD3 P35462 1/20 0.42
RAB9A P51151 1/20 0.41

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
SCHEMBL7737516 0.87 HTR7 (0.58) KDM1AMEN1KMT2AHTR7CARM1
SCHEMBL4932045 0.83 DPP7 (0.58) KDM1AMEN1KMT2AHTR7CARM1
Hydrochloric Acid SCHEMBL5753957 0.81 DPP7 (0.56) KDM1AMEN1KMT2AHTR7CARM1
SCHEMBL8673780 0.81 POLB (0.59) MEN1KMT2AACHEALDH1A1MAPT
Hydrochloric Acid SCHEMBL11614221 0.80 DPP7 (0.54) KDM1AMEN1KMT2AHTR7CARM1
Hydrochloric Acid SCHEMBL11093613 0.80 POLB (0.58) MEN1KMT2AACHEALDH1A1ADRA2A
SCHEMBL7672095 0.79 SIGMAR1 (0.53) KDM1AMEN1KMT2AHTR7CARM1
SCHEMBL5549334 0.79 MEN1 (0.68) MEN1KMT2AACHEMAPTPOLB
SCHEMBL17654095 0.77 HTR7 (0.74) HTR7
SCHEMBL12311335 0.76 ADORA2A (0.50) KDM1AMEN1KMT2AHTR7CARM1

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-5296483-A Antidepressant UNIVERSITY OF FLORIDA (US) 1994-03-22 US disclosed
US-5082853-A Drug delivery BODOR NICHOLAS S (US) 1992-01-21 US disclosed
US-4933438-A Brain-specific analogues of centrally acting amines UNIVERSITY OF FLORIDA (US) 1990-06-12 US disclosed
EP-0174342-B1 BRAIN-SPECIFIC ANALOGUES OF CENTRALLY ACTING AMINES UNIVERSITY OF FLORIDA (US) 1989-12-20 EP disclosed
US-4771059-A CENTRAL NERVOUS SYSTEM UNIVERSITY OF FLORIDA (US) 1988-09-13 US disclosed
EP-0100717-B1 PROCESS FOR THE PREPARATION OF ALPHAALKYLAMINOALDEHYDES SANOFI S.A. (FR) 1985-11-06 EP disclosed