SCHEMBL8944152

SCHEMBL8944152

CC(O)c1ccccc1N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP2C19 P33261 1/20 0.50
HIF1A Q16665 1/20 0.50
HTR1A P08908 1/20 0.50
HTR2A P28223 1/20 0.50
HTR7 P34969 1/20 0.50
HTR6 P50406 1/20 0.50
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49
GMNN O75496 1/20 0.49

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
SCHEMBL21261351 0.80 MC4R (0.48) MEN1KMT2AHTR1AHTR7
SCHEMBL27395119 0.77 HTR1A (0.52) MEN1KMT2ATSHRALDH1A1CYP1A2
SCHEMBL9258046 0.77 PANK3 (0.51) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL11100857 0.76 ALDH1A1 (0.75) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL6714846 0.76 ALDH1A1 (0.75) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL27777805 0.76 ALDH1A1 (0.57) MEN1KMT2ATSHRALDH1A1ALOX15
SCHEMBL9646111 0.75 ALDH1A1 (0.73) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL11955707 0.74 HTR3E (0.58) TSHRALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7900203 0.74 GAA (0.49) MEN1KMT2AALDH1A1MAPTHIF1A
Propionic Acid SCHEMBL9328561 0.74 L3MBTL1 (0.45) TSHRALDH1A1MAPTHTR1ALMNA

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-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-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