SCHEMBL6692826

SCHEMBL6692826

C[C@@H](Nc1ccccc1)C(=O)OC1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.46
CHRM4 P08173 4/20 0.46
CHRM5 P08912 4/20 0.46
CHRM3 P20309 4/20 0.46
CHRM2 P08172 4/20 0.46
LMNA P02545 3/20 0.46
BLM P54132 3/20 0.46
CYP2D6 P10635 3/20 0.46
THRB P10828 2/20 0.46
PMP22 Q01453 2/20 0.46
CYP2C9 P11712 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
EPHX2 P34913 1/20 0.42
TDP1 Q9NUW8 2/20 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
SCHEMBL1491624 0.94 FAAH (0.47) CHRM1CHRM4CHRM5CHRM3CHRM2
SCHEMBL28986531 0.94 FAAH (0.44) CHRM1CHRM4CHRM5CHRM3CHRM2
Hydrochloric Acid SCHEMBL17707257 0.92 FAAH (0.46) CHRM1CHRM4CHRM5CHRM3CHRM2
SCHEMBL28841763 0.92 FAAH (0.49) CHRM1CHRM4CHRM5CHRM3CHRM2
SCHEMBL28841740 0.84 CTSL (0.48) CHRM1CHRM4CHRM5CHRM3CHRM2
SCHEMBL28841789 0.84 CTSL (0.48) CHRM1CHRM4CHRM5CHRM3CHRM2
SCHEMBL4681333 0.79 KMT2A (0.52) LMNATHRBHSD17B10MEN1KMT2A
SCHEMBL158072 0.79 KMT2A (0.52) LMNATHRBHSD17B10MEN1KMT2A
SCHEMBL29033348 0.79 TDP1 (0.50) LMNATHRBHSD17B10MEN1KMT2A
SCHEMBL4526290 0.79 KMT2A (0.52) LMNATHRBHSD17B10MEN1KMT2A

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
WO-2004043911-A2 N-CYCLOALKYLGLYCINES AS HIV PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed