SCHEMBL28802472

SCHEMBL28802472

CCCCCC(=O)N[C@@H]1CCc2ccc(C(=O)N(C)C3CCN(c4ccnc(C)c4)CC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.42
F2 P00734 1/20 0.41
PLAT P00750 1/20 0.41
KLKB1 P03952 1/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
WDR5 P61964 1/20 0.40
DRD2 P14416 5/20 0.36
HTR1A P08908 4/20 0.36
HTR2A P28223 1/20 0.36
KCNH2 Q12809 1/20 0.36
POLB P06746 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 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
SCHEMBL784808 0.89 F10 (0.41) F10F2PLATKLKB1WDR5
SCHEMBL27902562 0.88 CA12 (0.40) F10CA12CA7CA14DRD2
SCHEMBL784804 0.88 F10 (0.41) F10F2PLATKLKB1WDR5
SCHEMBL784892 0.86 F10 (0.40) F10F2PLATKLKB1WDR5
SCHEMBL784473 0.86 DRD2 (0.42) F10CA12CA7CA14WDR5
SCHEMBL27920407 0.85 CA12 (0.40) CA12CA7CA14WDR5DRD2
SCHEMBL27920403 0.85 CA12 (0.41) CA12CA7CA14WDR5DRD2
SCHEMBL784620 0.84 WDR5 (0.42) F10F2PLATKLKB1CA12
SCHEMBL785422 0.83 F10 (0.40) F10F2PLATKLKB1WDR5
SCHEMBL785143 0.83 TSHR (0.45) F10F2PLATKLKB1WDR5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN claimed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN disclosed