SCHEMBL8536585

SCHEMBL8536585

Cc1cc2c(cc1C)CCC(CCN1CCCCC1)=C2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.44
HRH1 P35367 2/20 0.42
HTR2A P28223 2/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2B P41595 1/20 0.42
MCHR1 Q99705 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL8531818 0.98 HRH3 (0.45) HRH3HRH1HTR2AHTR1ADRD2
Hydrochloric Acid SCHEMBL8535833 0.97 HRH3 (0.44) HRH3HRH1HTR2AHTR1ADRD2
Fumaric Acid SCHEMBL29737159 0.87 MCHR1 (0.38) HRH3HRH1HTR2AHTR1ADRD2
SCHEMBL8533134 0.85 HRH3 (0.42) HRH3HRH1HTR2AHTR1ADRD2
SCHEMBL8535845 0.85 HRH3 (0.39) HRH3HRH1HTR2AHTR1ADRD2
SCHEMBL8533481 0.83 MCHR1 (0.41) HRH3HRH1HTR2AHTR1ADRD2
SCHEMBL8531503 0.81 HTR2A (0.41) HRH3HRH1HTR2AHTR1ADRD2
SCHEMBL8536618 0.81 HTR2C (0.43) HRH3HRH1HTR2AHTR1ADRD2
SCHEMBL8531883 0.80 MCHR1 (0.41) HRH3HTR2CMCHR1SMN1; SMN2CYP1A2
SCHEMBL8535500 0.80 HRH3 (0.44) HRH3HRH1HTR2AHTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5847159-A 1- ω-(3,4-dihydro-2-naphthalenyl)alkyl!-cyclic amine derivatives, process for preparing the same, and pharmaceutical composition containing the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-12-08 US disclosed
CN-1187811-A 1-[omega-(3,4-dihydro-2-naphthalenyl) alkyl] cyclic amine derivatives, process for producing same, and medicinal composition containing same DAINIPPON PHARMACEUTICAL CO (JP) 1998-07-15 CN disclosed
EP-0825180-A1 1-OMEGA-(3,4-DIHYDRO-2-NAPHTHALENYL)ALKYL] CYCLIC AMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-02-25 EP disclosed