SCHEMBL8946513

SCHEMBL8946513

Fc1ccc2c(c1)[C@H]1c3ccccc3N[C@H]1C2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
NOX1 Q9Y5S8 1/20 0.34
IDO1 P14902 3/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
JAK2 O60674 1/20 0.33
HTR5A P47898 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTR2B P41595 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL8946517 1.00 OPRM1 (0.38) OPRM1GAAMAPTHTR2AHTR2C
SCHEMBL8946515 1.00 OPRM1 (0.38) OPRM1GAAMAPTHTR2AHTR2C
SCHEMBL10381611 0.83 MAPT (0.49) GAAMAPTNOX1KDM4ETP53
SCHEMBL8946325 0.82 OPRM1 (0.42) OPRM1GAAMAPTKDM4ETP53
SCHEMBL8946330 0.82 OPRM1 (0.42) OPRM1GAAMAPTKDM4ETP53
SCHEMBL8946320 0.82 OPRM1 (0.42) OPRM1GAAMAPTKDM4ETP53
SCHEMBL8946481 0.78 HTR2A (0.46) OPRM1MAPTHTR2AHTR2CNPC1
SCHEMBL8946436 0.78 KIF11 (0.39)
SCHEMBL8946471 0.78 HTR2A (0.46) OPRM1MAPTHTR2AHTR2CNPC1
SCHEMBL9018957 0.78 KIF11 (0.39)

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
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP disclosed
EP-0409410-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1991-01-23 EP disclosed
WO-1990015799-A1 INDENOINDOLE COMPOUNDS II UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed