SCHEMBL8192016

SCHEMBL8192016

CN1CCC(c2cccc3ccc(-c4cncnc4)cc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.56
HTR6 P50406 2/20 0.54
HTR1B P28222 1/20 0.54
SLC6A4 P31645 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37

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
SCHEMBL8176435 0.88 DRD2 (0.61) DRD2HTR6HTR1BSLC6A4GSK3B
SCHEMBL6313386 0.80 MTNR1A (0.46) DRD2HTR6SLC6A4MEN1KMT2A
SCHEMBL6308711 0.79 USP2 (0.47) DRD2SLC6A4ALDH1A1LMNACYP1A2
SCHEMBL8185072 0.77 DRD2 (0.50) DRD2HTR6HTR1BSLC6A4HTR2A
SCHEMBL6308994 0.77 HTR1A (0.54) DRD2HTR1BSLC6A4SLC6A2SLC6A3
SCHEMBL7816263 0.76 CYP1A2 (0.57) DRD2SLC6A4CYP1A2CYP3A4CYP2D6
SCHEMBL6307121 0.76 HTR1D (0.57) DRD2HTR6HTR1BSLC6A4HTR2A
SCHEMBL7256238 0.75 DRD2 (0.69) DRD2HTR6HTR1BSLC6A4HTR2A
SCHEMBL9325324 0.74 MTNR1A (0.56) DRD2HTR1BSLC6A4MEN1KMT2A
Bromide SCHEMBL9325759 0.73 DRD2 (0.68) DRD2HTR6HTR1BSLC6A4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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