SCHEMBL6974890

SCHEMBL6974890

CC1Cc2cccc(N)c2N(C(=O)CCc2ccc(C#N)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
FFAR1 O14842 1/20 0.37
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
FAAH O00519 4/20 0.35
PARP1 P09874 1/20 0.34
YAP1 P46937 1/20 0.33
KDM1A O60341 1/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNJ1 P48048 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL6983851 0.85 KCNJ1 (0.39) DPP8DPP9FFAR1ALDH1A1L3MBTL1
SCHEMBL6979727 0.81 TSHR (0.40) DPP8DPP9FFAR1ALDH1A1SMN1; SMN2
SCHEMBL6974883 0.80 TP53 (0.41) FFAR1ALDH1A1L3MBTL1SMN1; SMN2NPC1
SCHEMBL6984466 0.80 TDP1 (0.38) DPP8DPP9ALDH1A1L3MBTL1NPC1
SCHEMBL6977058 0.78 FFAR1 (0.36) DPP8DPP9FFAR1ALDH1A1SMN1; SMN2
SCHEMBL6983845 0.74 KCNJ1 (0.45) FFAR1ALDH1A1L3MBTL1SMN1; SMN2HPGD
SCHEMBL6986713 0.71 TSHR (0.41) DPP8DPP9FFAR1ALDH1A1HPGD
SCHEMBL6984463 0.71 POLB (0.44) ALDH1A1KDM4EKMT2A
SCHEMBL6985353 0.71 ALDH1A1 (0.46) DPP8DPP9ALDH1A1SMN1; SMN2HPGD
SCHEMBL7410532 0.69 CHRM2 (0.41) DPP8DPP9ALDH1A1L3MBTL1SMN1; SMN2

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-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed