SCHEMBL10460428

SCHEMBL10460428

COc1noc2c1CNCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 14/20 1.00
CHRM5 P08912 8/20 1.00
CHRM1 P11229 8/20 1.00
CHRM2 P08172 7/20 1.00
CHRM4 P08173 7/20 1.00
HTR2C P28335 1/20 0.63

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
Hydrochloric Acid SCHEMBL10460426 0.98 CHRM3 (0.97) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL10651354 0.90 CHRM3 (0.97) CHRM3CHRM5CHRM1CHRM2CHRM4
Hydrochloric Acid SCHEMBL10656906 0.88 CHRM3 (1.00) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL10459676 0.83 CHRM3 (1.00) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL10460362 0.83 CHRM3 (1.00) CHRM3CHRM5CHRM1CHRM2CHRM4
Hydrochloric Acid SCHEMBL10460271 0.81 CHRM3 (0.97) CHRM3CHRM5CHRM1CHRM2CHRM4
Hydrochloric Acid SCHEMBL10460503 0.81 CHRM3 (0.97) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL10460418 0.80 CHRM3 (0.82) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL24355248 0.79 HTR2C (0.77) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL10460548 0.78 CHRM3 (0.75) CHRM3CHRM5CHRM1CHRM2CHRM4

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-4960769-A Nervous system disorders H. LUNDBECK A/S (DK) 1990-10-02 US disclosed