SCHEMBL11738728

SCHEMBL11738728

CN(C)CCCC1(C)OCCc2nc(-c3ccccc3)sc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.42
▸ LMNA P02545 1/20 0.38
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ PKM P14618 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ BRD4 O60885 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HTR7 P34969 1/20 0.32

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
SCHEMBL11739663 0.93 HRH3 (0.39) HRH3LMNANPC1RAB9AKMT2A
SCHEMBL11737961 0.86 NPC1 (0.37) LMNANPC1RAB9AKMT2AKDM4E
SCHEMBL11742440 0.84 SIGMAR1 (0.41) HRH3NPC1RAB9AKMT2AKDM4E
SCHEMBL11738748 0.84 NPC1 (0.38) NPC1RAB9AKMT2AKDM4E
SCHEMBL11743857 0.84 NPC1 (0.38) NPC1RAB9AKMT2AKDM4E
SCHEMBL11743478 0.84 NPC1 (0.38) NPC1RAB9AKMT2AKDM4E
Hydrochloric Acid SCHEMBL11746962 0.83 NPC1 (0.37) NPC1RAB9AKMT2AKDM4E
SCHEMBL11736431 0.82 NPC1 (0.37) LMNANPC1RAB9AKMT2AKDM4E
Hydrochloric Acid SCHEMBL11741645 0.81 NPC1 (0.42) NPC1RAB9AKMT2AKDM4EL3MBTL1
SCHEMBL11740038 0.81 NPC1 (0.39) NPC1RAB9AKMT2AKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4033977-A ANTIINFLAMMATORY, ANTIDEPRESSANT AMERICAN HOME PRODUCTS CORPORATION (US) 1977-07-05 — — US claimed
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