SCHEMBL7316690

SCHEMBL7316690

CC(CNC(=O)[C@H]1CCCN1C(=O)CCCCC(C#N)(c1ccccc1)C(C)C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.42
PRSS1 P07477 3/20 0.42
CHRM3 P20309 5/20 0.42
TAAR1 Q96RJ0 1/20 0.41
KMT2A Q03164 1/20 0.41
DPP4 P27487 3/20 0.39
CHRM2 P08172 2/20 0.39
XIAP P98170 1/20 0.39
MLX Q9UH92 1/20 0.39
DPP8 Q6V1X1 1/20 0.38
ACE P12821 1/20 0.38
FKBP1A P62942 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 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
SCHEMBL7316700 1.00 F2 (0.42) F2PRSS1CHRM3TAAR1KMT2A
SCHEMBL7309074 0.88 ACE (0.41) F2PRSS1CHRM3DPP4DPP8
SCHEMBL7306032 0.88 F2 (0.49) F2PRSS1CHRM3FKBP1A
SCHEMBL7306042 0.88 F2 (0.49) F2PRSS1CHRM3FKBP1A
SCHEMBL7308390 0.88 TACR1 (0.44) F2PRSS1DPP4XIAPDPP8
SCHEMBL8083547 0.88 TACR1 (0.44) F2PRSS1DPP4XIAPDPP8
SCHEMBL7309067 0.88 ACE (0.41) F2PRSS1CHRM3DPP4DPP8
SCHEMBL7308379 0.88 TACR1 (0.44) F2PRSS1DPP4XIAPDPP8
SCHEMBL7308557 0.87 CHRM3 (0.44) F2PRSS1CHRM3DPP4CHRM2
SCHEMBL7310442 0.87 F2 (0.51) F2PRSS1CHRM3KMT2ACHRM2

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
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed