SCHEMBL11084149

SCHEMBL11084149

COc1ccc(CC2C(C)C(=O)CCN2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
TACR1 P25103 1/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
GLA P06280 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL11086808 0.73 GLA (0.47) BCHEACHESIGMAR1HRH3GAA
SCHEMBL11849978 0.73 BCHE (0.40) BCHEACHESIGMAR1HRH3
Hydrochloric Acid SCHEMBL11082477 0.72 GLA (0.46) BCHEACHESIGMAR1HRH3GAA
SCHEMBL9756628 0.70 BCHE (0.41) BCHEACHESIGMAR1HRH3
SCHEMBL11502411 0.70 BCHE (0.56) BCHEACHESIGMAR1
SCHEMBL11769008 0.69 HRH3 (0.46) BCHEACHESIGMAR1HRH3GAA
SCHEMBL11760710 0.69 HRH3 (0.46) BCHEACHESIGMAR1HRH3GAA
SCHEMBL11768994 0.69 HRH3 (0.46) BCHEACHESIGMAR1HRH3GAA
SCHEMBL11760720 0.69 HRH3 (0.46) BCHEACHESIGMAR1HRH3GAA
SCHEMBL11760698 0.69 HRH3 (0.46) BCHEACHESIGMAR1HRH3GAA

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-0028717-B1 6,7-BENZOMORPHAN DERIVATIVES, PROCESSES FOR THEIR PRODUCTION, PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ACF CHEMIEFARMA NV (NL) 1984-08-15 EP disclosed
US-4425353-A Analgesic 5-oxygenated-6,7-benzomorphan derivatives ACF CHEMIEFARMA NV (NL) 1984-01-10 US disclosed
US-4406904-A Method of inhibiting luteinizing hormone secretion with 6,7-benzomorphan derivatives ACF CHEMIEFARMA NV (NL) 1983-09-27 US disclosed
EP-0028717-A1 6,7-Benzomorphan derivatives, processes for their production, pharmaceutical compositions containing said derivatives and their use as pharmaceuticals ACF CHEMIEFARMA NV (NL) 1981-05-20 EP disclosed