SCHEMBL8531883

SCHEMBL8531883

COC(=O)c1cc2c(cc1C)C=C(CCN1CCCC1)CC2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
HTR2C P28335 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL8533481 0.87 MCHR1 (0.41) MCHR1MEN1KMT2AALDH1A1HTR2C
SCHEMBL8535840 0.83 ALDH1A1 (0.46) MCHR1MEN1KMT2AALDH1A1HTR2C
SCHEMBL8531818 0.81 HRH3 (0.45) MCHR1ALDH1A1HTR2CKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL8535833 0.80 HRH3 (0.44) MCHR1ALDH1A1HTR2CKDM4ESMN1; SMN2
SCHEMBL8536585 0.80 HRH3 (0.44) MCHR1HTR2CKDM4ESMN1; SMN2CYP1A2
SCHEMBL27482748 0.78 PRPS1 (0.34) MCHR1
SCHEMBL8533134 0.77 HRH3 (0.42) HTR2CKDM4ESMN1; SMN2HRH3
SCHEMBL8535845 0.77 HRH3 (0.39) MCHR1HTR2CCYP1A2CYP2D6CYP2C19
SCHEMBL8535500 0.75 HRH3 (0.44) HTR2CHRH3
SCHEMBL8531503 0.74 HTR2A (0.41) MCHR1HTR2CCYP1A2CYP2D6HRH3

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 2 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
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