SCHEMBL14895668

SCHEMBL14895668

O=C(O)CC(=O)OCC1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
CHRM3 P20309 8/20 0.46
CHRM2 P08172 7/20 0.46
CHRM1 P11229 7/20 0.46
GABRA5 P31644 3/20 0.44
GABRB2 P47870 3/20 0.44
SLC6A1 P30531 2/20 0.44
SLC6A12 P48065 2/20 0.44
SLC6A11 P48066 2/20 0.44
SLC6A13 Q9NSD5 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRR1 P24046 1/20 0.44
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
F2R P25116 1/20 0.43
CPN1 P15169 1/20 0.39
CPB2 Q96IY4 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL11464663 0.82 LMNA (0.61) LMNAITGB3ITGA2BF2R
SCHEMBL7315668 0.81 LMNA (0.70) LMNA
SCHEMBL3923983 0.79 LMNA (0.41) LMNACHRM3CHRM2CHRM1GABRA5
SCHEMBL15349789 0.79 LMNA (0.41) LMNACHRM3CHRM2CHRM1GABRA5
Hydrochloric Acid SCHEMBL7418852 0.78 TDP1 (0.40) LMNACHRM3CHRM2CHRM1GABRA5
Hydrochloric Acid SCHEMBL27418447 0.78 TDP1 (0.40) LMNACHRM3CHRM2CHRM1GABRA5
SCHEMBL18030754 0.76 TDP1 (0.39) LMNACHRM3CHRM2CHRM1GABRA5
SCHEMBL3344404 0.75 CHRM2 (0.42) CHRM3CHRM2CHRM1GABRA5GABRB2
SCHEMBL7420286 0.75 CHRM2 (0.42) CHRM3CHRM2CHRM1GABRA5GABRB2
Benzene SCHEMBL3357152 0.74 CHRM3 (0.49) CHRM3CHRM2CHRM1GABRA5GABRB2

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-2013062837-A1 PIPERIDINE DERIVATIVES USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME CORP. (US) 2013-05-02 WO disclosed