SCHEMBL9666604

SCHEMBL9666604

COc1cc2c(cc1OC)C(=O)N(CCCCl)CC2

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
DRD3 P35462 7/20 0.53
DRD4 P21917 5/20 0.53
HTR1A P08908 1/20 0.53
DRD2 P14416 5/20 0.49
ADRA1B P35368 1/20 0.49
ABCB1 P08183 2/20 0.48
DRD1 P21728 1/20 0.47

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
SCHEMBL9667936 0.92 MEN1 (0.55) MEN1KMT2ADRD3DRD4HTR1A
SCHEMBL9624879 0.84 MEN1 (0.58) MEN1KMT2ADRD3DRD4HTR1A
SCHEMBL9032662 0.84 GAA (0.61) MEN1KMT2ADRD3DRD4HTR1A
SCHEMBL30081993 0.84 GAA (0.61) MEN1KMT2ADRD3DRD4HTR1A
SCHEMBL31134729 0.82 MEN1 (0.56) MEN1KMT2ADRD3DRD4HTR1A
SCHEMBL9667881 0.82 GRM5 (0.43) MEN1KMT2ADRD3DRD4DRD2
SCHEMBL9665585 0.81 MEN1 (0.61) MEN1KMT2ADRD3DRD4HTR1A
SCHEMBL9739479 0.81 ADRA1B (0.46) MEN1KMT2ADRD3DRD4HTR1A
SCHEMBL10646146 0.80 HCN4 (0.53) MEN1KMT2ADRD3DRD4HTR1A
SCHEMBL9625180 0.79 MEN1 (0.58) MEN1KMT2ADRD3DRD4HTR1A

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-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
US-4137318-A HYPOTENSIVES AND HEART RATE REDUCERS BOEHRINGER INGELHEIM GMBH (DE) 1979-01-30 US disclosed