SCHEMBL7122471

SCHEMBL7122471

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
ABCB1 P08183 1/20 0.47
CACNA2D1 P54289 1/20 0.43
CACNA1B Q00975 1/20 0.43
CACNB1 Q02641 1/20 0.43
CACNA1C Q13936 1/20 0.43
ACKR3 P25106 2/20 0.42
MAPT P10636 2/20 0.42
TERT O14746 1/20 0.41
NEK2 P51955 1/20 0.41
HDAC4 P56524 1/20 0.41
SOS1 Q07889 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
DTYMK P23919 1/20 0.40
TACR1 P25103 1/20 0.40
PDK2 Q15119 1/20 0.40
NPC1 O15118 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
SCHEMBL7117394 0.87 CHRM2 (0.48) CHRM2CHRM4CHRM1CHRM3ABCB1
SCHEMBL7117384 0.85 CHRM2 (0.48) CHRM2CHRM4CHRM1CHRM3ABCB1
SCHEMBL14593236 0.81 CACNA2D1 (0.45) CHRM2CHRM4CHRM1CHRM3ABCB1
SCHEMBL5413890 0.81 CACNA2D1 (0.45) CHRM2CHRM4CHRM1CHRM3ABCB1
SCHEMBL27980531 0.81 MAPT (0.53) CHRM2CHRM4CHRM1CHRM3ABCB1
SCHEMBL28864301 0.79 ALDH1A1 (0.61) MAPTALDH1A1MAPK1HTT
SCHEMBL30702506 0.79 CYP3A4 (0.48) CHRM2CHRM4CHRM1CHRM3ABCB1
SCHEMBL26921324 0.78 ALDH1A1 (0.47) CHRM2CHRM4CHRM1CHRM3ABCB1
SCHEMBL13149626 0.77 CHRM2 (0.49) CHRM2CHRM4CHRM1CHRM3ACKR3
SCHEMBL14593340 0.76 CACNA2D1 (0.43) CACNA2D1CACNA1BCACNB1CACNA1CMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358163-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-11-05 EP disclosed
WO-2002059095-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 WO disclosed