SCHEMBL12101034

SCHEMBL12101034

C=C(OC(C)(C)C)N1CCC2(CC1)CN(C(=O)c1csc(-c3ccccc3)n1)CCO2

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 11/20 0.53
▸ CHRM3 P20309 11/20 0.53
▸ SCD5 Q86SK9 1/20 0.45
▸ ACKR3 P25106 1/20 0.43
▸ HPGDS O60760 1/20 0.41
▸ HTR2C P28335 4/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL2142176 0.91 CHRM2 (0.54) CHRM2CHRM3SCD5ACKR3HPGDS
SCHEMBL2141128 0.85 CHRM2 (0.58) CHRM2CHRM3HTR2CEPHX2PTGDR2
SCHEMBL2140846 0.81 CHRM2 (0.55) CHRM2CHRM3HTR2CPTGDR2
SCHEMBL2139692 0.77 CHRM2 (0.58) CHRM2CHRM3ACKR3HPGDSHTR2C
SCHEMBL2143363 0.76 CHRM2 (0.61) CHRM2CHRM3SCD5EPHX2
SCHEMBL6912745 0.74 ACKR3 (0.66) SCD5ACKR3HPGDSHTR2CPTGDR2
SCHEMBL1247151 0.74 CHRM2 (0.64) CHRM2CHRM3SCD5
SCHEMBL1246052 0.74 CHRM2 (0.64) CHRM2CHRM3SCD5EPHX2
SCHEMBL17328261 0.73 EPHX2 (0.58) CHRM2CHRM3SCD5EPHX2
SCHEMBL2142441 0.72 CHRM2 (0.61) CHRM2CHRM3

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-2242759-B1 COMPOUNDS ASTRAZENECA AB (SE) 2012-09-12 — — EP disclosed
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