SCHEMBL8444554

SCHEMBL8444554

OC(CN1CCN(c2cccc3ccccc23)CC1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
GAA P10253 1/20 0.56
IGF1R P08069 5/20 0.55
KDM4E B2RXH2 3/20 0.55
OPRM1 P35372 2/20 0.55
OPRD1 P41143 2/20 0.55
HTR1A P08908 3/20 0.53
MAPT P10636 3/20 0.51
MAPK1 P28482 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
NR1I2 O75469 1/20 0.50
NR3C1 P04150 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRA2A P08913 1/20 0.50
DRD2 P14416 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50

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
SCHEMBL11105320 0.80 KMT2A (0.66) KMT2AMEN1GAAIGF1RKDM4E
SCHEMBL10746494 0.80 GAA (0.82) KMT2AMEN1GAAIGF1RKDM4E
SCHEMBL2796836 0.80 GAA (0.82) KMT2AMEN1GAAIGF1RKDM4E
SCHEMBL3976521 0.78 GAA (0.74) KMT2AMEN1GAAIGF1RKDM4E
SCHEMBL1460309 0.77 KMT2A (1.00) KMT2AMEN1GAAIGF1RKDM4E
SCHEMBL8442587 0.77 IGF1R (0.81) KMT2AMEN1IGF1RKDM4EHTR1A
SCHEMBL9643856 0.76 HTR1A (0.74) KDM4EHTR1ALMNADRD2DRD1
Hydrochloric Acid SCHEMBL8442876 0.76 IGF1R (0.80) KMT2AMEN1IGF1RKDM4EHTR1A
Hydrochloric Acid SCHEMBL9019641 0.76 IGF1R (0.80) KMT2AMEN1IGF1RKDM4EHTR1A
SCHEMBL17313699 0.76 MAPT (0.85) KMT2AMEN1KDM4EOPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0395312-B1 Piperazine derivatives WYETH JOHN & BROTHER LTD (GB) 1999-05-12 EP disclosed
US-5541326-A PHARMACEUTICAL COMPOSITION USED TO TREAT CENTRAL NERVOUS SYSTEM DISORDERS JOHN WYETH & BROTHER, LIMITED (GB) 1996-07-30 US disclosed
US-5420278-A ω-(4-aryl or heteroarylpiperazine-1-yl)-2-aryl or aralkyl-propanoic or butanoic acids JOHN WYETH & BROTHER, LIMITED (GB) 1995-05-30 US disclosed
US-5382583-A Hydroxytryptamine antagonists JOHN WYETH & BROTHER, LIMITED (GB) 1995-01-17 US disclosed
US-5364849-A Treatment of anxiety JOHN WYETH & BROTHER, LIMITED (GB) 1994-11-15 US disclosed
US-5340812-A Antiserotonin. anxiolytic agents JOHN WYETH & BROTHER, LIMITED (GB) 1994-08-23 US disclosed
EP-0395312-A2 Piperazine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1990-10-31 EP disclosed