SCHEMBL28345178

SCHEMBL28345178

COc1ccc(CN(C(=O)OCC(Cl)(Cl)Cl)[C@H]2C[C@@H](C(=O)O)N(C(=O)O)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.39
CHRM3 P20309 3/20 0.39
CHRM2 P08172 2/20 0.39
HTR2A P28223 6/20 0.38
OPRM1 P35372 2/20 0.38
UBE2M P61081 2/20 0.35
DCUN1D1 Q96GG9 2/20 0.35
AGTR2 P50052 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP13 P45452 1/20 0.35
HCRTR2 O43614 1/20 0.35
CHRM5 P08912 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL20475113 0.90 HSD11B1 (0.38) CHRM1CHRM3CHRM2HTR2AOPRM1
SCHEMBL29929920 0.82 P2RX3 (0.40) CHRM1CHRM3CHRM2HTR2AUBE2M
SCHEMBL2820222 0.80 HSD11B1 (0.45) AGTR2
SCHEMBL20475134 0.77 HDAC8 (0.44) OPRM1ALDH1A1SMN1; SMN2MMP1MMP2
SCHEMBL26966069 0.75 HSD11B1 (0.52) AGTR2
SCHEMBL28345071 0.75 MEN1 (0.39) UBE2MDCUN1D1ALDH1A1MMP1MMP2
SCHEMBL13841900 0.74 HSD11B1 (0.43) AGTR2
SCHEMBL2817569 0.74 HSD11B1 (0.43) AGTR2
SCHEMBL20475202 0.73 HSD11B1 (0.36) CHRM1CHRM3CHRM2HTR2AOPRM1
SCHEMBL29666567 0.71 HCRTR2 (0.49) CHRM1CHRM3CHRM2HTR2AOPRM1

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
CN-110546136-A proline-based neuropeptide FF receptor modulators RES TRIANGLE INST 2019-12-06 CN disclosed