SCHEMBL14593237

SCHEMBL14593237

COc1ccccc1C(CN)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.45
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
MC4R P32245 1/20 0.43
CCR3 P51677 2/20 0.42
ALDH1A1 P00352 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
DTYMK P23919 1/20 0.41
TGFBR1 P36897 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TACR1 P25103 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
GLS O94925 1/20 0.40

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
SCHEMBL5406440 0.87 DPP4 (0.52) CHRM2CHRM4CHRM1CHRM3MC4R
SCHEMBL5409320 0.86 MC4R (0.47) CHRM2CHRM4CHRM1CHRM3MC4R
SCHEMBL14593448 0.84 MC4R (0.65) ABCB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL14593236 0.84 CACNA2D1 (0.45) ABCB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL5413890 0.84 CACNA2D1 (0.45) ABCB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL14593235 0.83 GLS (0.49) ABCB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL5424295 0.81 CYP3A4 (0.51) MC4RGPR119TP53
SCHEMBL5407838 0.80 ALDH1A1 (0.53) ALDH1A1GPR119KDM4E
SCHEMBL14593385 0.79 MEN1 (0.46) ABCB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL14593345 0.79 KDM4E (0.51) ABCB1ALDH1A1GPR119KDM4E

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
US-7169777-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-30 US disclosed