SCHEMBL8993873

SCHEMBL8993873

CC(C)(C)OC(=O)NC1CCN(C(Cc2ccc(C#N)cc2)C(=O)N2CCCCC2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 4/20 0.41
FPR2 P25090 4/20 0.41
KDM4D Q6B0I6 4/20 0.41
F10 P00742 1/20 0.40
P2RX7 Q99572 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
DRD2 P14416 1/20 0.38
DPP7 Q9UHL4 2/20 0.37
DPP4 P27487 1/20 0.37
FAP Q12884 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL8993762 0.79 DPP4 (0.46) FPR1FPR2KMT2AMEN1CYP3A4
SCHEMBL2329420 0.77 FNTA (0.49) FPR2KDM4DKMT2ACYP3A4DRD2
SCHEMBL10420634 0.77 FPR2 (0.60) FPR1FPR2P2RX7KMT2A
SCHEMBL7304921 0.77 FPR2 (0.60) FPR1FPR2P2RX7KMT2A
SCHEMBL5155529 0.76 FPR2 (0.59) FPR1FPR2P2RX7KMT2A
SCHEMBL5151249 0.76 FPR2 (0.59) FPR1FPR2P2RX7KMT2A
SCHEMBL6767381 0.76 FPR2 (0.59) FPR1FPR2P2RX7KMT2A
SCHEMBL8993731 0.75 F10 (0.60) F10
SCHEMBL7416051 0.73 HDAC1 (0.53) FPR2KDM4DDRD2GPR119
SCHEMBL7413513 0.73 HDAC1 (0.53) FPR2KDM4DDRD2GPR119

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-5489583-A FOR TREATING OR PREVENTING THROMBOSIS BASF AKTIENGESELLSCHAFT (DE) 1996-02-06 US disclosed