SCHEMBL19900683

SCHEMBL19900683

CCCCCCCCCCCCCCc1nc(N2CCC2)nc(OC2CCC2)c1Br

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.30

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
SCHEMBL18005617 1.00 CHRM1 (0.30) CHRM1
SCHEMBL18005537 0.98 MEN1 (0.32) CHRM1
SCHEMBL19900340 0.86 CHRM1 (0.30) CHRM1
SCHEMBL18005358 0.86 CHRM1 (0.30) CHRM1
SCHEMBL18005354 0.84 MEN1 (0.36) CHRM1
SCHEMBL18005522 0.84 MEN1 (0.32) CHRM1
SCHEMBL18005469 0.83 SMN1; SMN2 (0.35) CHRM1
SCHEMBL18005212 0.83 SMN1; SMN2 (0.32) —
SCHEMBL19900507 0.82 MEN1 (0.32) —
SCHEMBL19899762 0.82 MEN1 (0.32) —

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-2018039077-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-03-01 — — WO disclosed
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