SCHEMBL16015141

SCHEMBL16015141

COC(=O)C1CCN(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccc(C)cc2)C3)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
SLC6A3 Q01959 5/20 0.45
SLC6A2 P23975 4/20 0.45
SLC6A4 P31645 2/20 0.45
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
LIPE Q05469 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL12124049 0.89 SLC6A3 (0.46) ALDH1A1SLC6A3SLC6A2SLC6A4GAA
SCHEMBL1334070 0.89 SLC6A3 (0.46) ALDH1A1SLC6A3SLC6A2SLC6A4GAA
SCHEMBL16015132 0.89 POLB (0.52) ALDH1A1LMNAPOLBLIPETSHR
SCHEMBL16015140 0.86 LIPE (0.44) ALDH1A1GAALIPESMN1; SMN2TSHR
SCHEMBL16015146 0.85 LIPE (0.43) SLC6A3SLC6A2SLC6A4LIPESMN1; SMN2
SCHEMBL16015137 0.85 TSHR (0.51) ALDH1A1GAALMNAPOLBLIPE
SCHEMBL16015131 0.84 LIPE (0.46) ALDH1A1LMNALIPESMN1; SMN2TSHR
SCHEMBL16015134 0.83 LIPE (0.44) LIPESMN1; SMN2TSHRNPC1RAB9A
SCHEMBL1335621 0.82 LIPE (0.44) ALDH1A1LIPESMN1; SMN2TSHRNPC1
SCHEMBL12124090 0.82 LIPE (0.44) ALDH1A1LIPESMN1; SMN2TSHRNPC1

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-8829027-B2 Urea derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 US disclosed