SCHEMBL4072375

SCHEMBL4072375

CCn1cc2c(cc1=O)C1(CCN(C(=O)OC(C)(C)C)CC1)OC2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 5/20 0.45
▸ MCHR1 Q99705 1/20 0.40
▸ NAMPT P43490 2/20 0.37
▸ TACR1 P25103 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.36
▸ USP19 O94966 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1002842 0.87 AVPR1A (0.46) AVPR1AMCHR1GPR119ESR2PKM
SCHEMBL4069303 0.81 AVPR1A (0.46) AVPR1AMCHR1GPR119ESR2USP2
SCHEMBL12701623 0.79 AVPR1A (0.50) AVPR1AMCHR1GPR119ESR2USP2
SCHEMBL30623466 0.79 AVPR1A (0.50) AVPR1AMCHR1GPR119ESR2USP2
SCHEMBL4067687 0.78 AVPR1A (0.46) AVPR1AMCHR1NAMPTGPR119ESR2
SCHEMBL17586450 0.78 AVPR1A (0.49) AVPR1AMCHR1GPR119ESR2USP2
SCHEMBL4316200 0.77 AVPR1A (0.43) AVPR1AMCHR1NAMPTGPR119
SCHEMBL4074124 0.76 AVPR1A (0.46) AVPR1AMCHR1NAMPTGPR119ESR2
SCHEMBL18643673 0.75 MCHR1 (0.45) AVPR1AMCHR1GPR119PKM
SCHEMBL30743086 0.75 NR1H2 (0.56) AVPR1ANAMPTGPR119ESR2USP2

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-2072519-A1 DIARYL KETIMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-06-24 — — EP disclosed
Send feedback