SCHEMBL9666512

SCHEMBL9666512

CCC(N1CCc2cc(OC)c(OC)cc2CC1=O)N(C)C(C)c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ DRD1 P21728 2/20 0.41
▸ DRD4 P21917 2/20 0.41
▸ DRD5 P21918 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HCN4 Q9Y3Q4 4/20 0.38
▸ MAPT P10636 1/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ABCC1 P33527 4/20 0.37
▸ ABCB1 P08183 3/20 0.37
▸ CHRM2 P08172 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36

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
Hydrochloric Acid SCHEMBL9667804 0.99 GAA (0.41) GAASMN1; SMN2DRD1DRD4DRD5
SCHEMBL9667529 0.94 GAA (0.41) GAASMN1; SMN2DRD1DRD4DRD5
SCHEMBL9667729 0.88 GAA (0.38) GAASMN1; SMN2DRD1DRD4DRD5
SCHEMBL9667385 0.87 ALOX5 (0.38) DRD1DRD4DRD5TSHRDRD3
SCHEMBL9667498 0.85 GAA (0.40) GAASMN1; SMN2DRD1DRD4DRD5
SCHEMBL9667637 0.85 GAA (0.38) GAASMN1; SMN2DRD1DRD4DRD5
SCHEMBL9667687 0.85 HCN4 (0.34) GAASMN1; SMN2DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL9667430 0.84 GAA (0.39) GAASMN1; SMN2DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL9666414 0.84 GAA (0.38) GAASMN1; SMN2DRD1DRD4DRD5
SCHEMBL9667686 0.83 PTGS2 (0.39) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0259793-B1 NAPHTHYL DERIVATIVES, MEDICAMENTS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1992-07-01 — — EP disclosed
US-4871735-A HYPOTENSIVE, ANTIISCHEMIC AGENTS DR. KARL THOMAE GMBH 1989-10-03 — — US disclosed
EP-0259793-A1 Naphthyl derivatives, medicaments containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1988-03-16 — — EP disclosed
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