SCHEMBL9624879

SCHEMBL9624879

CNCCCN1CCc2cc(OC)c(OC)cc2C1=O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ABCB1 P08183 2/20 0.49
DRD3 P35462 8/20 0.48
DRD4 P21917 6/20 0.48
HTR1A P08908 1/20 0.48
ADRA1B P35368 1/20 0.48
DRD2 P14416 6/20 0.45
DRD1 P21728 1/20 0.43
MAPT P10636 1/20 0.43
HCN4 Q9Y3Q4 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
SCHEMBL333182 0.85 HCN4 (0.58) MEN1KMT2AABCB1DRD3DRD4
SCHEMBL9666604 0.84 MEN1 (0.61) MEN1KMT2AABCB1DRD3DRD4
Hydrochloric Acid SCHEMBL10597759 0.84 CYP3A4 (0.59) MEN1KMT2AABCB1DRD3DRD4
SCHEMBL380658 0.82 DRD3 (0.52) DRD3DRD4DRD2DRD1
SCHEMBL11532852 0.81 MAPT (0.55) MEN1KMT2AABCB1DRD3DRD4
Hydrochloric Acid SCHEMBL11536298 0.80 CYP3A4 (0.56) MEN1KMT2AABCB1DRD3DRD4
SCHEMBL31134729 0.80 MEN1 (0.56) MEN1KMT2AABCB1DRD3DRD4
SCHEMBL9665585 0.79 MEN1 (0.61) MEN1KMT2AABCB1DRD3DRD4
SCHEMBL9625180 0.77 MEN1 (0.58) MEN1KMT2AABCB1DRD3DRD4
SCHEMBL9667936 0.77 MEN1 (0.55) MEN1KMT2AABCB1DRD3DRD4

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 6 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-5116986-A HETEROAROMATIC AMINE DERIVATIVES DR. KARL THOMAE GMBH (DE) 1992-05-26 US disclosed
US-4912115-A Cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1990-03-27 US disclosed
US-4871735-A HYPOTENSIVE, ANTIISCHEMIC AGENTS DR. KARL THOMAE GMBH 1989-10-03 US disclosed
EP-0269968-A2 Heteroaromatic amine derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-06-08 EP disclosed
EP-0259793-A1 Naphthyl derivatives, medicaments containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1988-03-16 EP disclosed