SCHEMBL9667131

SCHEMBL9667131

CCC(NC)N1CCc2cc(OC)c(OC)cc2CC1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ DRD1 P21728 2/20 0.47
▸ DRD4 P21917 2/20 0.47
▸ DRD5 P21918 2/20 0.47
▸ MAOA P21397 2/20 0.46
▸ MAOB P27338 2/20 0.46
▸ SLC6A4 P31645 2/20 0.46
▸ DRD3 P35462 2/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ MAPT P10636 3/20 0.40
▸ HCN4 Q9Y3Q4 2/20 0.40
▸ TSHR P16473 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ HTR1A P08908 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
SCHEMBL9666453 0.82 KMT2A (0.55) GAASMN1; SMN2MAOAMAOBSLC6A4
SCHEMBL10976169 0.82 GAA (0.57) GAASMN1; SMN2DRD1DRD4DRD5
Hydrochloric Acid SCHEMBL11259560 0.79 CYP3A4 (0.44) GAASMN1; SMN2DRD1DRD4DRD5
SCHEMBL9032873 0.79 HCN4 (0.43) GAASMN1; SMN2DRD1DRD4DRD5
SCHEMBL11089973 0.74 GAA (0.48) GAASMN1; SMN2DRD1DRD4DRD5
SCHEMBL14685767 0.71 GAA (0.66) GAASMN1; SMN2DRD1DRD4DRD5
SCHEMBL15840128 0.71 GAA (1.00) GAASMN1; SMN2DRD1DRD4DRD5
SCHEMBL11169272 0.70 MAOA (0.84) GAASMN1; SMN2DRD1DRD4DRD5
SCHEMBL14696925 0.70 GAA (0.68) GAASMN1; SMN2DRD1DRD4DRD5
SCHEMBL10601186 0.69 HCN4 (0.43) GAASMN1; SMN2DRD1DRD4DRD5

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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