SCHEMBL9684557

SCHEMBL9684557

c1ccc2c(c1)C1c3ccsc3C2N1C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
SLC18A3 Q16572 1/20 0.32
SIGMAR1 Q99720 3/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9683449 0.92 HHAT (0.30)
SCHEMBL9682581 0.69 HTT (0.35) ACHEKDM4EGAA
SCHEMBL9683323 0.66 HTT (0.30) KDM4EGAA
SCHEMBL13370362 0.65 BCHE (0.40) BCHEACHESLC18A3SIGMAR1OPRM1
Hydrochloric Acid SCHEMBL23611559 0.64 OPRM1 (0.39) BCHEACHESLC18A3SIGMAR1OPRM1
SCHEMBL9684243 0.64 CHRM2 (0.37) SIGMAR1GAA
SCHEMBL4458509 0.63 CEL (0.35)
Hydrochloric Acid SCHEMBL23611588 0.63 OPRM1 (0.38) BCHEACHESLC18A3SIGMAR1OPRM1
Hydrochloric Acid SCHEMBL23611632 0.63 SIGMAR1 (0.37) BCHEACHESLC18A3SIGMAR1OPRM1
SCHEMBL9684167 0.61 ALDH1A1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0475187-A1 Naphthothiophenimines for treating neuronal disorders caused by ischemia BRISTOL-MYERS SQUIBB COMPANY (US) 1992-03-18 EP disclosed