SCHEMBL11739663

SCHEMBL11739663

CN(C)CCC1(C)OCCc2nc(-c3ccccc3)sc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.39
▸ NPC1 O15118 4/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ UTS2R Q9UKP6 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTR7 P34969 2/20 0.33
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TRPM8 Q7Z2W7 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ HTR2A P28223 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
SCHEMBL11738728 0.93 HRH3 (0.42) HRH3NPC1RAB9AKMT2AKDM4E
SCHEMBL11742440 0.89 SIGMAR1 (0.41) HRH3NPC1RAB9AKMT2AKDM4E
SCHEMBL11743478 0.86 NPC1 (0.38) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL11743857 0.86 NPC1 (0.38) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL11738748 0.86 NPC1 (0.38) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL11746962 0.85 NPC1 (0.37) NPC1RAB9AKMT2AKDM4ESMN1; SMN2
SCHEMBL11736431 0.84 NPC1 (0.37) NPC1RAB9AKMT2AKDM4ELMNA
SCHEMBL11737961 0.84 NPC1 (0.37) NPC1RAB9AKMT2AKDM4ELMNA
Hydrochloric Acid SCHEMBL11741645 0.83 NPC1 (0.42) NPC1RAB9AKMT2AKDM4EMAPT
SCHEMBL11740038 0.83 NPC1 (0.39) NPC1RAB9AKMT2AKDM4ESMN1; 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 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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