SCHEMBL11737683

SCHEMBL11737683

FC(F)(F)c1ccc(OC2CCN(CCc3c[nH]c4ccc(OCCc5ccccc5)cc34)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 4/20 0.48
▸ HTR1B P28222 4/20 0.48
▸ HTR1A P08908 2/20 0.48
▸ MTNR1A P48039 2/20 0.48
▸ MTNR1B P49286 2/20 0.48
▸ HTR2A P28223 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TRPM8 Q7Z2W7 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ IGF1R P08069 1/20 0.43
▸ FLT4 P35916 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ PLA2G2A P14555 1/20 0.43
▸ PARP1 P09874 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42

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
SCHEMBL11735738 0.84 HTR2A (0.56) HTR1AHTR2A
SCHEMBL11738116 0.84 HTR6 (0.56) HTR1DHTR1BKDM4EMAPTTRPM8
SCHEMBL11739332 0.76 HTR2A (0.69) HTR1BHTR1AHTR2A
SCHEMBL11739126 0.75 HTR2A (0.60) HTR1AHTR2A
SCHEMBL11734250 0.75 HTR2A (0.65) HTR1AHTR2ABCHE
SCHEMBL11739008 0.74 MPO (0.57) HTR1AHTR2AHTR6KCNH2
SCHEMBL32669329 0.73 TRPM8 (0.67) HTR1DHTR1BHTR1AHTR2AKDM4E
SCHEMBL8746190 0.71 TRPM8 (0.79) HTR1DHTR1BHTR1AMTNR1AMTNR1B
SCHEMBL11733974 0.71 HTR2A (0.60) HTR1AHTR2ABCHEACHE
SCHEMBL11739185 0.71 HTR2A (0.60) HTR1AHTR2A

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-4031221-A ANALGESICS, TRANQUILIZERS, INDOLE COMPOUNDS AMERICAN HOECHST CORPORATION (US) 1977-06-21 — — US disclosed
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