SCHEMBL1387524

SCHEMBL1387524

CN1CCN(c2cccc3ccc(OCc4noc(-c5ccccc5)n4)cc23)CC1

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.84
KCNH2 Q12809 1/20 0.84
HTR1A P08908 10/20 0.60
HTR1D P28221 10/20 0.60
HTR1B P28222 10/20 0.60
FFAR1 O14842 1/20 0.45
OPRL1 P41146 1/20 0.43
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
MAOB P27338 1/20 0.42
GPR84 Q9NQS5 1/20 0.41

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
Hydrochloric Acid SCHEMBL7813268 0.98 SLC6A9 (0.82) SLC6A9KCNH2HTR1AHTR1DHTR1B
SCHEMBL8185864 0.92 SLC6A9 (0.83) SLC6A9KCNH2HTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL7810671 0.91 SLC6A9 (0.82) SLC6A9KCNH2HTR1AHTR1DHTR1B
SCHEMBL7813346 0.91 SLC6A9 (0.76) SLC6A9KCNH2HTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL7813281 0.90 SLC6A9 (0.96) SLC6A9KCNH2HTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL1387634 0.89 SLC6A9 (0.74) SLC6A9KCNH2HTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL7810308 0.88 SLC6A9 (0.72) SLC6A9KCNH2HTR1AHTR1DHTR1B
SCHEMBL7803817 0.86 SLC6A9 (0.70) SLC6A9KCNH2HTR1AHTR1DHTR1B
SCHEMBL8780741 0.85 SLC6A9 (0.71) SLC6A9KCNH2HTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL1387788 0.85 SLC6A9 (0.68) SLC6A9KCNH2HTR1AHTR1DHTR1B

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 11 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 claimed
EP-0795328-A1 Use of naphthalene derivatives in treating lung carcinoma PFIZER INC. (US) 1997-09-17 EP claimed
JP-H09506638-A 1997-06-30 JP claimed
EP-0767782-A1 ARYL AND HETEROARYL ALKOXYNAPHTHALENE DERIVATIVES PFIZER INC. (US) 1997-04-16 EP claimed
WO-1996000720-A1 ARYL AND HETEROARYL ALKOXYNAPHTHALENE DERIVATIVES PFIZER INC. (US) 1996-01-11 WO claimed
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
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
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