SCHEMBL9688419

SCHEMBL9688419

CN(C)CCc1ccc([N+](=O)[O-])c2[nH]ncc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NOS1 P29475 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
APEX1 P27695 1/20 0.43
NOS3 P29474 1/20 0.43
CYP2C19 P33261 1/20 0.43
NOS2 P35228 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL9688675 0.86 NOS1 (0.41) SMN1; SMN2MEN1KMT2ANOS1NPSR1
SCHEMBL11606284 0.76 MAPT (0.59) SMN1; SMN2MEN1KMT2ANOS1NPSR1
SCHEMBL9688738 0.76 HTR1A (0.43) HTR6
SCHEMBL9687754 0.76 HTR6 (0.38) HTR6
SCHEMBL9687961 0.76 HPGD (0.48) SMN1; SMN2MEN1KMT2ANOS1NPSR1
SCHEMBL9689065 0.74 MAPT (0.53) SMN1; SMN2MEN1KMT2ANOS1NPSR1
SCHEMBL9688718 0.73 HTR6 (0.34) HTR6
SCHEMBL9689988 0.72 ROCK2 (0.42) HTR6
SCHEMBL9687964 0.72 JAK2 (0.45) HTR6
SCHEMBL23275822 0.71 NOS1 (0.53) SMN1; SMN2MEN1KMT2ANOS1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0189473-B1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-05-27 EP disclosed
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