SCHEMBL14593236

SCHEMBL14593236

CC(C)(C)OC(=O)N1CCN(C(CN)c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.45
CACNA1B Q00975 1/20 0.45
CACNB1 Q02641 1/20 0.45
CACNA1C Q13936 1/20 0.45
MC4R P32245 1/20 0.45
SOS1 Q07889 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
MAPT P10636 1/20 0.41
CNR1 P21554 1/20 0.41
HDAC4 P56524 1/20 0.40
TACR1 P25103 2/20 0.40
GPR119 Q8TDV5 2/20 0.40
ABCB1 P08183 1/20 0.40
DTYMK P23919 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP3A5 P20815 2/20 0.39
PDK2 Q15119 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
SCHEMBL5413890 1.00 CACNA2D1 (0.45) CACNA2D1CACNA1BCACNB1CACNA1CMC4R
SCHEMBL5409320 0.86 MC4R (0.47) MC4RCHRM2CHRM4CHRM1CHRM3
SCHEMBL14593354 0.85 MC4R (0.66) CACNA2D1CACNA1BCACNB1CACNA1CMC4R
SCHEMBL5406356 0.85 MC4R (0.66) CACNA2D1CACNA1BCACNB1CACNA1CMC4R
SCHEMBL5406440 0.85 DPP4 (0.52) CACNA2D1CACNA1BCACNB1MC4RCHRM2
SCHEMBL14593237 0.84 ABCB1 (0.45) MC4RCHRM2CHRM4CHRM1CHRM3
SCHEMBL14593391 0.83 CACNA2D1 (0.41) CACNA2D1CACNA1BCACNB1CACNA1CMC4R
SCHEMBL14593235 0.81 GLS (0.49) CHRM2CHRM4CHRM1CHRM3MAPT
SCHEMBL7122471 0.81 CHRM2 (0.47) CACNA2D1CACNA1BCACNB1CACNA1CSOS1
SCHEMBL14593340 0.80 CACNA2D1 (0.43) CACNA2D1CACNA1BCACNB1CACNA1CSOS1

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