SCHEMBL8322241

SCHEMBL8322241

Clc1ccc(OCc2ccccc2)c(CCc2ccc(-c3nnn[nH]3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
KMT2A Q03164 2/20 0.43
PTGER1 P34995 9/20 0.43
ABCB1 P08183 3/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL8405902 1.00 HTR1A (0.44) HTR1ADRD2KMT2APTGER1ABCB1
SCHEMBL8409574 0.88 HTR1A (0.45) HTR1ADRD2PTGER1ABCB1ABCG2
SCHEMBL8409051 0.87 CCR5 (0.45) HTR1ADRD2PTGER1ABCB1ABCG2
SCHEMBL8320385 0.87 CCR5 (0.45) HTR1ADRD2PTGER1ABCB1ABCG2
SCHEMBL8322255 0.87 ABCB1 (0.43) HTR1ADRD2KMT2APTGER1ABCB1
SCHEMBL8408170 0.87 HTR1A (0.61) HTR1ADRD2PTGER1ABCB1ABCG2
SCHEMBL8320664 0.87 HTR1A (0.61) HTR1ADRD2PTGER1ABCB1ABCG2
SCHEMBL8406776 0.85 ABCB1 (0.55) HTR1ADRD2ABCB1ABCG2
SCHEMBL6280559 0.84 PRMT5 (0.37) HTR1ADRD2KMT2AABCB1MEN1
SCHEMBL8324773 0.83 SYK (0.43) HTR1ADRD2PTGER1ABCB1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP claimed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP claimed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO claimed
EP-0578408-B1 Silicon carbide with controlled porosity CARBORUNDUM CO (US) 2000-04-19 EP disclosed
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
US-5834387-A HAVING UNIFORM DISTRIBUTION OF CONTROLLED DIAMETER PORES; FOR PUMPS OR AGITATORS, REDUCED POWER CONSUMPTION THE CARBORUNDUM COMPANY (US) 1998-11-10 US disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed
EP-0578408-A2 Silicon carbide with controlled porosity THE CARBORUNDUM COMPANY (US) 1994-01-12 EP disclosed