SCHEMBL9602968

SCHEMBL9602968

CC1(C)CN(OC(=O)NC2CN3CCC2CC3)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.50
CHRM1 P11229 3/20 0.50
CHRM3 P20309 3/20 0.50
CHRNA7 P36544 2/20 0.49
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
HTR3A P46098 1/20 0.47

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
SCHEMBL7266703 0.81 CHRM2 (0.53) CHRM2CHRM1CHRM3CHRNA7
Hydrochloric Acid SCHEMBL7439036 0.80 CHRM2 (0.52) CHRM2CHRM1CHRM3CHRNA7
SCHEMBL9602854 0.77 CHRNA7 (0.50) CHRM2CHRM1CHRM3CHRNA7CHRNB2
SCHEMBL9602391 0.76 MEN1 (0.42)
SCHEMBL1956626 0.68 CHRNA7 (0.71) CHRM2CHRM1CHRM3CHRNA7CHRNB2
SCHEMBL1082093 0.68 CHRNA7 (0.71) CHRM2CHRM1CHRM3CHRNA7CHRNB2
SCHEMBL6564238 0.68 CHRNA7 (0.71) CHRM2CHRM1CHRM3CHRNA7CHRNB2
SCHEMBL29604517 0.68 CHRNA7 (0.71) CHRM2CHRM1CHRM3CHRNA7CHRNB2
SCHEMBL9531125 0.68 CHRM2 (0.59) CHRM2CHRM1CHRM3CHRNA7HTR3A
SCHEMBL2819764 0.67 CHRM2 (1.00) CHRM2CHRM1CHRM3CHRNA7HTR3A

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-0247266-B1 INDOLE DERIVATIVES HAVING AN AZABICYCLIC SIDE CHAIN, PROCESS FOR THEIR PREPARATION, INTERMEDIATES, AND PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1993-03-10 EP claimed