SCHEMBL8535295

SCHEMBL8535295

c1cc2cc(N3CCOCC3)ccc2cc1CN1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR5A P47898 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
KDM4E B2RXH2 1/20 0.48
NSD2 O96028 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
CASP1 P29466 1/20 0.48
HTT P42858 1/20 0.48
CASP7 P55210 1/20 0.48
CASP6 P55212 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TMEM97 Q5BJF2 3/20 0.46
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46

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
SCHEMBL27483128 0.86 HRH3 (0.55) SIGMAR1KDM4ENSD2LMNAMAPT
SCHEMBL15265439 0.83 AGXT (0.56) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL2270689 0.81 HRH3 (0.61) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL8532314 0.77 TSHR (0.56) SIGMAR1KDM4EMAPTTSHRHTT
SCHEMBL1239752 0.77 MAPT (0.55) SIGMAR1KDM4ENSD2LMNAMAPT
SCHEMBL593143 0.76 SLC6A4 (0.71) SIGMAR1HTR3EHTR3BHTR3AHTR5A
SCHEMBL31606107 0.76 TMEM97 (0.40) SIGMAR1TMEM97ADRA2AADRA2BADRA2C
SCHEMBL15093971 0.76 CYP2A13 (0.49) SIGMAR1KDM4ELMNASMN1; SMN2TMEM97
SCHEMBL11585390 0.75 SIGMAR1 (0.56) SIGMAR1ADRA2CSLC6A4HRH3CXCR4
SCHEMBL16830448 0.75 SLC6A4 (0.69) SIGMAR1HTR3AADRA2CSLC6A4HRH3

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