SCHEMBL7809208

SCHEMBL7809208

CN1CCN(c2cccc3ccc(C(=O)OCc4ccccc4)cc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.53
HTR1B P28222 9/20 0.53
HTR1D P28221 8/20 0.53
TMEM97 Q5BJF2 6/20 0.51
SIGMAR1 Q99720 6/20 0.51
HRH3 Q9Y5N1 3/20 0.50
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
DRD1 P21728 1/20 0.48
HRH2 P25021 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48

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
SCHEMBL6306763 0.83 HTR1A (0.57) HTR1AHTR1BHTR1DALDH1A1TSHR
SCHEMBL6306751 0.82 KDM1A (0.51) HTR1AHTR1BHTR1DTMEM97SIGMAR1
SCHEMBL7812700 0.81 HTR1A (0.57) HTR1AHTR1BHTR1DALDH1A1TSHR
SCHEMBL8567402 0.81 HTR1A (0.50) HTR1AHTR1BHTR1DHRH3ALDH1A1
SCHEMBL6306100 0.80 HTR1A (0.54) HTR1AHTR1BHTR1DALDH1A1GAA
Hydrochloric Acid SCHEMBL6306223 0.80 HTR1A (0.56) HTR1AHTR1BHTR1DALDH1A1TSHR
SCHEMBL8572292 0.79 HRH3 (0.50) HTR1AHTR1BHTR1DHRH3MEN1
SCHEMBL9058832 0.79 HTR1A (0.65) HTR1AHTR1BHTR1DALDH1A1GAA
SCHEMBL6312894 0.78 HTR1A (0.75) HTR1AHTR1BHTR1DHRH3ALDH1A1
SCHEMBL11862997 0.78 KMT2A (0.66) ALDH1A1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767782-B1 ARYL AND HETEROARYL ALKOXYNAPHTHALENE DERIVATIVES PFIZER (US) 2001-10-31 EP disclosed
CN-1064350-C Aryl and heteroaryl alkoxynaphtalene derivatives PFIZER (US) 2001-04-11 CN disclosed
US-6166020-A Aryl and heteroaryl alkoxynaphthalene derivatives PFIZER INC. (US) 2000-12-26 US disclosed
US-5821245-A Use of naphthalene derivatives in treating lung carcinoma PFIZER INC. (US) 1998-10-13 US disclosed
EP-0795328-A1 Use of naphthalene derivatives in treating lung carcinoma PFIZER INC. (US) 1997-09-17 EP disclosed
CN-1151729-A Aryl and heteroaryl alkoxynaphtalene derivatives PFIZER (US) 1997-06-11 CN disclosed
EP-0767782-A1 ARYL AND HETEROARYL ALKOXYNAPHTHALENE DERIVATIVES PFIZER INC. (US) 1997-04-16 EP disclosed
WO-1996000720-A1 ARYL AND HETEROARYL ALKOXYNAPHTHALENE DERIVATIVES PFIZER INC. (US) 1996-01-11 WO disclosed