SCHEMBL7809221

SCHEMBL7809221

CN1CCN(c2ccc(Cl)c3ccc(OCc4nc(-c5ccccc5)no4)cc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
NPC1 O15118 4/20 0.51
MAPT P10636 9/20 0.50
TSHR P16473 4/20 0.50
GSTP1 P09211 3/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
MAPK1 P28482 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A9 P48067 1/20 0.49
KCNH2 Q12809 1/20 0.49
NPSR1 Q6W5P4 1/20 0.43
FFAR1 O14842 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL7808550 0.86 HTR1A (0.60) RAB9ASMN1; SMN2NPC1MAPTTSHR
Hydrochloric Acid SCHEMBL1387849 0.84 SLC6A9 (0.58) RAB9ASMN1; SMN2NPC1MAPTTSHR
Hydrochloric Acid SCHEMBL1387847 0.84 SLC6A9 (0.58) RAB9ASMN1; SMN2NPC1MAPTTSHR
Hydrochloric Acid SCHEMBL7810704 0.81 SLC6A9 (0.71) RAB9ASMN1; SMN2NPC1MAPTTSHR
SCHEMBL7816012 0.79 SLC6A9 (0.60) RAB9ASMN1; SMN2NPC1MAPTTSHR
Hydrochloric Acid SCHEMBL1387856 0.78 SLC6A9 (0.59) RAB9ASMN1; SMN2NPC1MAPTTSHR
Hydrochloric Acid SCHEMBL1387858 0.78 SLC6A9 (0.59) RAB9ASMN1; SMN2NPC1MAPTTSHR
SCHEMBL8191218 0.77 SLC6A9 (0.56) RAB9ASMN1; SMN2NPC1MAPTTSHR
SCHEMBL7812360 0.77 HTR1A (0.64) RAB9ASMN1; SMN2NPC1MAPTTSHR
SCHEMBL1387863 0.74 RAB9A (0.53) RAB9ASMN1; SMN2NPC1MAPTTSHR

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 4 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
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