SCHEMBL1387568

SCHEMBL1387568

Cc1noc(C)c1-c1nc(COc2ccc3cccc(C4CCN(C)CC4)c3c2)no1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 6/20 0.51
KCNH2 Q12809 6/20 0.51
OPRL1 P41146 1/20 0.42
SLC6A5 Q9Y345 3/20 0.39
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTR1B P28222 3/20 0.38
GPR84 Q9NQS5 1/20 0.37
ERBB2 P04626 1/20 0.37
EPHA2 P29317 1/20 0.37
KDR P35968 1/20 0.37
EPHB4 P54760 1/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
BRD4 O60885 3/20 0.36
CREBBP Q92793 3/20 0.36
NMT1 P30419 1/20 0.36
SLC9A3 P48764 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL8780741 0.85 SLC6A9 (0.71) SLC6A9KCNH2OPRL1ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL1387548 0.83 SLC6A9 (0.69) SLC6A9KCNH2OPRL1ALDH1A1L3MBTL1
SCHEMBL1387863 0.75 RAB9A (0.53) ALDH1A1L3MBTL1NPC1POLBCASP3
SCHEMBL8187068 0.75 ALOX5AP (0.41) SLC6A9KCNH2OPRL1ALDH1A1HTR1B
SCHEMBL7803546 0.75 HTR1A (0.42) SLC6A9KCNH2HTR1BHTR1AHTR1D
SCHEMBL7803556 0.72 SLC6A9 (0.40) SLC6A9KCNH2HTR1BEPHA2KDR
SCHEMBL27371802 0.71 HTR1A (0.41) SLC6A5HTR1BHTR1AHTR1D
SCHEMBL7816032 0.71 HTR1A (0.41) SLC6A9KCNH2L3MBTL1HTR1BHTR1A
SCHEMBL7812267 0.71 SLC6A9 (0.44) SLC6A9KCNH2OPRL1L3MBTL1NPC1
SCHEMBL9325324 0.71 MTNR1A (0.56) HTR1BHTR1AHTR1D

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
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
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