SCHEMBL7816263

SCHEMBL7816263

CN1CCC(c2cccc3ccc(O)cc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
THPO P40225 1/20 0.57
DRD2 P14416 1/20 0.49
SLC6A4 P31645 1/20 0.49
MAPT P10636 1/20 0.48
BLM P54132 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ESR1 P03372 4/20 0.44
ESR2 Q92731 4/20 0.44
HTR5A P47898 1/20 0.43
USP7 Q93009 1/20 0.43
MCL1 Q07820 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
QDPR P09417 1/20 0.42

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
SCHEMBL8185072 0.84 DRD2 (0.50) CYP1A2CYP3A4CYP2D6CYP2C9THPO
SCHEMBL6307121 0.82 HTR1D (0.57) CYP1A2CYP3A4CYP2D6CYP2C9THPO
SCHEMBL7256238 0.81 DRD2 (0.69) DRD2SLC6A4HRH3
SCHEMBL9325324 0.80 MTNR1A (0.56) DRD2SLC6A4
Bromide SCHEMBL9325759 0.80 DRD2 (0.68) DRD2SLC6A4HRH3
Hydrochloric Acid SCHEMBL7260916 0.80 DRD2 (0.68) DRD2SLC6A4HRH3
SCHEMBL17368685 0.79 CYP1A2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9THPO
SCHEMBL8192016 0.76 DRD2 (0.56) CYP1A2CYP3A4CYP2D6DRD2SLC6A4
SCHEMBL6313386 0.76 MTNR1A (0.46) DRD2SLC6A4
SCHEMBL24310184 0.75 CYP1A2 (0.55) CYP1A2CYP3A4CYP2D6CYP2C9THPO

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 6 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
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
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