SCHEMBL7440133

SCHEMBL7440133

CC(C)(C)OC(=O)C(N1CCC(N2CCN(c3ccc(C#N)cc3)CC2)CC1)C1(O)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
MEN1 O00255 2/20 0.37
GPR119 Q8TDV5 2/20 0.37
KMT2A Q03164 1/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
DPP4 P27487 1/20 0.36
CALCA P06881 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
HTR7 P34969 1/20 0.35
AR P10275 1/20 0.35
HRH3 Q9Y5N1 3/20 0.35
CCR5 P51681 1/20 0.35
PANK3 Q9H999 1/20 0.34
EGLN2 Q96KS0 1/20 0.34

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
SCHEMBL9313761 0.95 ESR1 (0.36) ESR1MEN1GPR119KMT2ACTSS
SCHEMBL7431827 0.78 KMT2A (0.40) ESR1MEN1GPR119KMT2ACTSS
SCHEMBL7440112 0.77 ESR1 (0.40) ESR1MEN1GPR119KMT2ADPP4
SCHEMBL7435316 0.77 GPR119 (0.57) GPR119IRAK4AREGLN2
SCHEMBL7548362 0.76 KDM4E (0.41) ESR1MEN1GPR119KMT2ADPP4
SCHEMBL7297025 0.76 KMT2A (0.41) ESR1MEN1GPR119KMT2ACTSS
SCHEMBL7344717 0.74 ITGB3 (0.47) MEN1GPR119KMT2ACTSSCTSK
SCHEMBL7444913 0.73 ESR1 (0.46) ESR1MEN1KMT2ACTSSCTSK
SCHEMBL7337863 0.72 KDM4E (0.46) KMT2ACTSSCTSKDPP4CALCA
SCHEMBL7435155 0.71 CTSS (0.42) MEN1KMT2ACTSSCTSKDPP4

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-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO disclosed