SCHEMBL19867700

SCHEMBL19867700

CC(C)[C@H](N)c1cn(C[C@H]2CCCN2C)cn1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.35
▸ CHRNB1 P11230 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ CHRNB3 Q05901 1/20 0.34

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
SCHEMBL19859847 1.00 HTR6 (0.35) HTR6CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL21085843 1.00 HTR6 (0.35) HTR6CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL19859848 1.00 HTR6 (0.35) HTR6CHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL19859849 1.00 HTR6 (0.35) HTR6CHRNB1CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL21046980 0.99 HTR6 (0.36) HTR6
Hydrochloric Acid SCHEMBL21046979 0.99 HTR6 (0.36) HTR6
Hydrochloric Acid SCHEMBL21046981 0.99 HTR6 (0.36) HTR6
SCHEMBL21047352 0.78 KDM2B (0.40) —
SCHEMBL21047350 0.78 KDM2B (0.40) —
SCHEMBL21047354 0.78 KDM2B (0.40) —

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
WO-2018031877-A1 FUMAGILLOL COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. (US) 2018-02-15 — — WO disclosed
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