SCHEMBL7120895

SCHEMBL7120895

COc1ccc(C(N)CN2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MMP2 P08253 1/20 0.47
MMP13 P45452 1/20 0.47
BACE1 P56817 2/20 0.47
CTSD P07339 1/20 0.47
CTSE P14091 1/20 0.47
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
STS P08842 1/20 0.46
GPR119 Q8TDV5 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44

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
SCHEMBL26921324 0.87 ALDH1A1 (0.47) ALDH1A1MAPTLMNAMMP13HTT
SCHEMBL7119173 0.87 MEN1 (0.54) ALDH1A1MAPTSMN1; SMN2HTTNPC1
SCHEMBL21509690 0.86 ALDH1A1 (0.47) ALDH1A1MAPTHTTNPC1MAPK1
SCHEMBL27980531 0.85 MAPT (0.53) ALDH1A1MAPTLMNAHTTNPC1
SCHEMBL26923461 0.81 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2HTTNPC1
SCHEMBL30702542 0.81 DPP4 (0.49) ALDH1A1MAPTLMNAMMP2MMP13
SCHEMBL10039879 0.81 ALDH1A1 (0.62) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL5901095 0.80 KDM4E (0.62) ALDH1A1MAPTMAPK1L3MBTL1ABCB1
SCHEMBL26922383 0.79 NPC1 (0.45) ALDH1A1MAPTHTTNPC1MAPK1
SCHEMBL31023690 0.79 ALDH1A1 (0.58) ALDH1A1MAPTLMNASMN1; SMN2HTT

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