SCHEMBL10409134

SCHEMBL10409134

CCCN(CCC)CCc1cc(OC)c2[nH][nH]c(=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.43
EBP Q15125 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40
HTR5A P47898 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
SCHEMBL9688869 0.81 DRD2 (0.50)
SCHEMBL9689788 0.79 HTR2A (0.51) HTR2AHTR2B
SCHEMBL9688860 0.74 SIGMAR1 (0.41) SIGMAR1EBPTMEM97HTR1AHTR1D
SCHEMBL10959196 0.69 SIGMAR1 (0.70) SIGMAR1EBPTMEM97
SCHEMBL8589988 0.65 SIGMAR1 (0.56) SIGMAR1EBPTMEM97
SCHEMBL11517042 0.64 SIGMAR1 (0.82) SIGMAR1EBPTMEM97HTR2AHTR2B
SCHEMBL9689118 0.62 DRD2 (0.40) SIGMAR1EBPTMEM97
Hydrochloric Acid SCHEMBL10347579 0.62 SIGMAR1 (0.59) SIGMAR1EBPTMEM97HTR1AHTR1D
SCHEMBL24000179 0.62 GRIN2D (0.54)
SCHEMBL30088998 0.62 GRIN2D (0.54)

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
US-4958026-A HYPOTENSIVE AGENTS SCHERING AKTIENGESLLSCHAFT (DE) 1990-09-18 US disclosed
EP-0189473-A1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS. SCHERING AG (DE) 1986-08-06 EP disclosed
WO-1986001204-A1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1986-02-27 WO disclosed