SCHEMBL11738116

SCHEMBL11738116

Fc1ccc(OC2CCN(CCc3c[nH]c4ccc(OCc5ccccc5)cc34)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.56
▸ KCNH2 Q12809 3/20 0.56
▸ TRPM8 Q7Z2W7 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ LTA4H P09960 2/20 0.55
▸ PLA2G2A P14555 2/20 0.55
▸ HTR1D P28221 5/20 0.53
▸ SLC6A4 P31645 1/20 0.52
▸ HTR1B P28222 2/20 0.51
▸ MPO P05164 2/20 0.51
▸ POLB P06746 1/20 0.51

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
SCHEMBL11739332 0.84 HTR2A (0.69) SLC6A4HTR1BMPO
SCHEMBL32669329 0.84 TRPM8 (0.67) TRPM8KDM4EMAPTLTA4HPLA2G2A
SCHEMBL11739126 0.84 HTR2A (0.60) SLC6A4MPO
SCHEMBL11737683 0.84 HTR1D (0.48) HTR6KCNH2TRPM8KDM4EMAPT
SCHEMBL11739008 0.82 MPO (0.57) HTR6KCNH2SLC6A4MPO
SCHEMBL11471775 0.79 TRPM8 (0.53) HTR6KCNH2TRPM8KDM4EMAPT
SCHEMBL11735457 0.78 GABRA1 (0.47) LTA4HPLA2G2APOLB
SCHEMBL11734250 0.78 HTR2A (0.65) —
SCHEMBL11768689 0.77 DRD3 (0.58) TRPM8KDM4EMAPTLTA4HPLA2G2A
Hydrochloric Acid SCHEMBL11767138 0.77 LTA4H (0.59) TRPM8KDM4EMAPTLTA4HPLA2G2A

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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