SCHEMBL19890950

SCHEMBL19890950

CCCCCCCCCCCCCOc1nc(N2CCC2)nc(C)c1Br

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.46
▸ LTA4H P09960 1/20 0.36
▸ CHRM1 P11229 4/20 0.35
▸ CHRM2 P08172 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
SCHEMBL18005303 0.84 MAPT (0.46) MAPTLTA4HCHRM1CHRM2
SCHEMBL18005455 0.77 ATM (0.39) MAPTCHRM1
SCHEMBL18005647 0.73 ALDH1A1 (0.44) MAPT
SCHEMBL18029910 0.72 MEN1 (0.36) —
SCHEMBL18005390 0.72 MEN1 (0.36) —
SCHEMBL18005354 0.71 MEN1 (0.36) CHRM1
SCHEMBL1707790 0.69 ALDH1A1 (0.49) —
SCHEMBL19900683 0.67 CHRM1 (0.30) CHRM1
SCHEMBL19900182 0.66 NPY5R (0.36) MAPTCHRM1
SCHEMBL19900162 0.66 NPY5R (0.36) MAPTCHRM1

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-2016133959-A9 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-02-22 — — WO disclosed
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