SCHEMBL6982712

SCHEMBL6982712

c1ccc(CCSc2nsnc2OC2C3CC[C@H]2NC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.38
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6986211 1.00 CHRM1 (0.38) CHRM1NPC1RAB9ALMNAHTT
SCHEMBL6981083 0.84 CHRM1 (0.38) CHRM1SMN1; SMN2
SCHEMBL6989372 0.84 CHRM1 (0.38) CHRM1SMN1; SMN2
Hydrochloric Acid SCHEMBL6986723 0.83 CHRM1 (0.37) CHRM1SMN1; SMN2
SCHEMBL6984430 0.83 CHRM1 (0.53) CHRM1
SCHEMBL6984398 0.82 ALDH1A1 (0.42) CHRM1
Hydrochloric Acid SCHEMBL6987919 0.81 ALDH1A1 (0.41) CHRM1
SCHEMBL6987069 0.81 CHRM1 (0.30) CHRM1
Hydrochloric Acid SCHEMBL6988707 0.80 CHRM1 (0.54) CHRM1
SCHEMBL6981474 0.79 CHRM1 (0.36) CHRM1

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
EP-1189902-B1 7-OXO-2-AZABICYCLO[2.2.1]HEPTANES AS SELECTIVE MUSCARINIC RECEPTOR ANTAGONIST LILLY CO ELI (US) 2003-08-27 EP claimed