SCHEMBL9683323

SCHEMBL9683323

CC(C)N1C2c3ccccc3C1c1sccc12

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.30
HHAT Q5VTY9 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9682581 0.80 HTT (0.35) HTTHHATKDM4EGAAHPGD
SCHEMBL23611615 0.71 CHRNB2 (0.32)
Hydrochloric Acid SCHEMBL23611617 0.70 CHRNB2 (0.31)
SCHEMBL9683449 0.69 HHAT (0.30) HHAT
SCHEMBL9683465 0.67 CARM1 (0.33) KDM4E
SCHEMBL9684243 0.67 CHRM2 (0.37) HTTGAAHPGDTDP1
SCHEMBL9683453 0.67 OPRM1 (0.35) HTT
SCHEMBL9684557 0.66 BCHE (0.33) KDM4EGAA
SCHEMBL9684281 0.66 OPRM1 (0.37)
SCHEMBL9684133 0.65 CYP2D6 (0.38) KDM4E

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 2 patents. 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
US-5064831-A N-methyl-d-aspartate receptor antagonist BRISTOL-MYERS SQUIBB CO. (US) 1991-11-12 US disclosed