SCHEMBL7810094

SCHEMBL7810094

CN1CCN(c2cccc3ccc(OCc4nc(-c5ccccc5)ns4)cc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.60
HTR1D P28221 11/20 0.60
HTR1B P28222 11/20 0.60
KCNH2 Q12809 4/20 0.53
SLC6A9 P48067 1/20 0.53
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
DRD2 P14416 3/20 0.39
HTR2A P28223 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL7808562 0.83 HTR1A (0.61) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL7816641 0.83 HTR1A (0.60) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL8186008 0.82 HTR1A (0.61) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL7803798 0.81 HTR1A (0.64) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL7808550 0.81 HTR1A (0.60) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL6312894 0.80 HTR1A (0.75) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL7810719 0.80 HTR1A (0.51) HTR1AHTR1DHTR1BKCNH2SLC6A9
Hydrochloric Acid SCHEMBL1387849 0.79 SLC6A9 (0.58) HTR1AHTR1DHTR1BKCNH2SLC6A9
Hydrochloric Acid SCHEMBL1387847 0.79 SLC6A9 (0.58) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL7812331 0.79 HTR1A (0.60) HTR1AHTR1DHTR1BKCNH2SLC6A9

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 3 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
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