SCHEMBL7808550

SCHEMBL7808550

CN1CCN(c2cccc3ccc(OCc4nc(-c5ccccc5)no4)cc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.60
HTR1D P28221 9/20 0.60
HTR1B P28222 9/20 0.60
SLC6A9 P48067 1/20 0.60
KCNH2 Q12809 1/20 0.60
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47

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 SCHEMBL1387847 0.98 SLC6A9 (0.58) HTR1AHTR1DHTR1BSLC6A9KCNH2
Hydrochloric Acid SCHEMBL1387849 0.98 SLC6A9 (0.58) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7816012 0.93 SLC6A9 (0.60) HTR1AHTR1DHTR1BSLC6A9KCNH2
Hydrochloric Acid SCHEMBL1387858 0.91 SLC6A9 (0.59) HTR1AHTR1DHTR1BSLC6A9KCNH2
Hydrochloric Acid SCHEMBL1387856 0.91 SLC6A9 (0.59) HTR1AHTR1DHTR1BSLC6A9KCNH2
Hydrochloric Acid SCHEMBL7810704 0.91 SLC6A9 (0.71) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7812360 0.91 HTR1A (0.64) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL8191218 0.90 SLC6A9 (0.56) HTR1AHTR1DHTR1BSLC6A9KCNH2
Hydrochloric Acid SCHEMBL8187001 0.86 HTR1A (0.55) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7809221 0.86 RAB9A (0.51) SLC6A9KCNH2RAB9ANPC1SMN1; SMN2

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
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
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