SCHEMBL27889031

SCHEMBL27889031

CC(CC=O)c1ccccc1CN

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.35
TAAR1 Q96RJ0 2/20 0.34
DPP4 P27487 2/20 0.33
TSHR P16473 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
HTR2A P28223 4/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL27532477 0.82 PNMT (0.35) PNMTTAAR1DPP4TSHRSMN1; SMN2
SCHEMBL5704383 0.81 ADRA2A (0.40) TSHRCHRM2CHRM1CHRM3
SCHEMBL21176962 0.79 TSHR (0.34) TAAR1TSHRCHRM2CHRM1CHRM3
SCHEMBL3197029 0.78 CYSLTR2 (0.43) TSHR
SCHEMBL11346927 0.78 PNMT (0.38) PNMTTAAR1DPP4TSHRKDM4E
SCHEMBL473489 0.77 GABRA1 (0.40) TAAR1TSHRSMN1; SMN2HTR2CHTR2B
SCHEMBL394464 0.77 TSHR (0.55) PNMTTAAR1DPP4TSHRKDM4E
SCHEMBL28038251 0.77 TYR (0.36)
SCHEMBL12290677 0.76 ESR1 (0.42) TSHRCHRM2CHRM1CHRM3KDM4E
SCHEMBL27891817 0.74 TAAR1 (0.42) TAAR1CHRM2CHRM1CHRM3KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105503760-A Crystalline ARB-NEPi dicationic compound and preparation method and application thereof SHANGHAI HANSOH BIOMEDICAL CO LTD 2016-04-20 CN claimed
CN-108685889-A Nep inhibitor for treating the disease for being characterized as atrial enlargement or reconstruct 诺华股份有限公司 2018-10-23 CN disclosed
CN-105503760-A Crystalline ARB-NEPi dicationic compound and preparation method and application thereof SHANGHAI HANSOH BIOMEDICAL CO LTD 2016-04-20 CN disclosed
CN-102702119-B The pharmaceutical combination product of angiotensin receptor antagonist and nep inhibitor NOVARTIS AG (CH) 2016-01-20 CN disclosed
CN-102702119-A Pharmaceutical combinations of an angiotensin receptor antagonist and an NEP inhibitor NOVARTIS AG (CH) 2012-10-03 CN disclosed