SCHEMBL8546338

SCHEMBL8546338

Clc1c(OCc2ccccc2)ccc2[nH]ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.43
RHEB Q15382 2/20 0.43
DRD4 P21917 3/20 0.43
DRD3 P35462 3/20 0.43
DRD2 P14416 2/20 0.43
SLC6A4 P31645 1/20 0.43
POLB P06746 1/20 0.42
PTGER1 P34995 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
NSD2 O96028 1/20 0.41
ABL1 P00519 1/20 0.41
PPARG P37231 1/20 0.41
RIN1 Q13671 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
CHRM4 P08173 1/20 0.40
CHRM3 P20309 1/20 0.40
CLCN2 P51788 1/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL30390986 0.82 L3MBTL1 (0.56) MAPK14DRD4DRD3DRD2POLB
SCHEMBL1994140 0.82 DRD2 (0.43) MAPK14DRD4DRD3DRD2SLC6A4
SCHEMBL3909627 0.82 DRD2 (0.43) DRD4DRD3DRD2SLC6A4POLB
SCHEMBL29415608 0.80 DRD4 (0.63) RHEBDRD4DRD3DRD2SLC6A4
SCHEMBL746079 0.80 DRD4 (0.63) RHEBDRD4DRD3DRD2SLC6A4
SCHEMBL3897534 0.79 POLB (0.43) RHEBDRD4DRD3DRD2POLB
SCHEMBL18683086 0.78 NPC1 (0.62) MAPK14DRD4DRD3DRD2POLB
SCHEMBL15704604 0.78 TSHR (0.43) RHEB
SCHEMBL20534493 0.77 PTGER1 (0.48) MAPK14DRD4DRD3DRD2SLC6A4
SCHEMBL9315420 0.77 MITF (0.47) RHEBDRD4DRD3DRD2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593513-B1 TRYPTAMINE ANALOGUES, THEIR SYNTHESIS AND THEIR USE AS 5-HT1-LIKE RECEPTORS OR 5-HT2 RECEPTOR AGONISTES SMITHKLINE BEECHAM PLC (GB) 1998-10-28 EP disclosed
US-5571833-A TREATMENT OF MIGRAINE, PORTAL HYPERTENSION SMITHKLINE BEECHAM PLC (GB) 1996-11-05 US disclosed
EP-0593513-A1 TRYPTAMINE ANALOGUES, THEIR SYNTHESIS AND THEIR USE AS 5-HT1-LIKE RECEPTORS OR 5-HT2 RECEPTOR AGONISTES SMITHKLINE BEECHAM PLC (GB) 1994-04-27 EP disclosed
WO-1993000333-A1 TRYPTAMINE ANALOGUES, THEIR SYNTHESIS AND THEIR USE AS 5-HT1-LIKE OR 5-HT2 RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-01-07 WO disclosed