SCHEMBL8535845

SCHEMBL8535845

Cc1cc2c(cc1CO)CCC(CCN1CCCC1)=C2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.39
HTR2C P28335 2/20 0.38
HTR2A P28223 2/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR7 P34969 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
MCHR1 Q99705 6/20 0.35
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31

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 0.86 HRH3 (0.45) HRH3HTR2CHTR2AHTR1ADRD2
Hydrochloric Acid SCHEMBL8535833 0.85 HRH3 (0.44) HRH3HTR2CHTR2AHTR1ADRD2
SCHEMBL8536585 0.85 HRH3 (0.44) HRH3HTR2CHTR2AHTR1ADRD2
SCHEMBL8531503 0.81 HTR2A (0.41) HRH3HTR2CHTR2AHTR1ADRD2
SCHEMBL8533481 0.80 MCHR1 (0.41) HRH3HTR2CHTR2AHTR1ADRD2
Fumaric Acid SCHEMBL29737159 0.79 MCHR1 (0.38) HRH3HTR2CHTR2AHTR1ADRD2
SCHEMBL8531883 0.77 MCHR1 (0.41) HRH3HTR2CMCHR1CYP1A2CYP2D6
SCHEMBL8533134 0.77 HRH3 (0.42) HRH3HTR2CHTR2AHTR1ADRD2
SCHEMBL27515298 0.76 SHBG (0.31)
SCHEMBL8532823 0.76 HTR1A (0.45) HRH3HTR2CHTR2AHTR1ADRD2

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
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 claimed
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 claimed
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
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