SCHEMBL9355367

SCHEMBL9355367

CCC[C@H]1CC[C@H](C2CC=C(CCc3ccc(OC)cc3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
MAPT P10636 1/20 0.36
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34

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
SCHEMBL10627971 1.00 MAOB (0.39) MAOBDRD2DRD3MAPTADRA1D
SCHEMBL9352243 0.93 MAOB (0.37) MAOBDRD2DRD3HRH3
SCHEMBL9351483 0.92 MAOB (0.37) MAOBDRD2DRD3
SCHEMBL9352195 0.91 DRD2 (0.37) MAOBDRD2DRD3ADRA1DADRA1A
SCHEMBL9352179 0.91 DRD2 (0.37) MAOBDRD2DRD3ADRA1DADRA1A
SCHEMBL9352116 0.91 MEN1 (0.37) MAOBDRD2DRD3
SCHEMBL9355275 0.89 RAB9A (0.39) MAPTHRH3
SCHEMBL9352225 0.89 MAOA (0.36) MAOBMAPTHRH3
SCHEMBL9355450 0.88 LMNA (0.38)
SCHEMBL9355068 0.88 KMT2A (0.37) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0410756-B1 Cyclohexenylethane compounds CHISSO CORP (JP) 1994-09-14 EP disclosed
US-5064565-A Liquid crystals CHISSO CORPORATION (JP) 1991-11-12 US disclosed
EP-0410756-A1 Cyclohexenylethane compounds Chisso Corporation (JP) 1991-01-30 EP disclosed
US-4724097-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-02-09 US disclosed
EP-0125563-B1 BICYCLOHEXYL ETHANES MERCK PATENT GmbH (DE) 1987-05-27 EP disclosed
US-4606845-A DIELECTRICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-08-19 US disclosed
EP-0125563-A2 Bicyclohexyl ethanes MERCK PATENT GmbH (DE) 1984-11-21 EP disclosed