SCHEMBL532913

SCHEMBL532913

Cc1cc(C)c(N2CCCC2)c(C)c1NC(=O)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.52
LMNA P02545 2/20 0.52
GAA P10253 2/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 2/20 0.45
CNR2 P34972 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PLK1 P53350 1/20 0.44
GFER P55789 1/20 0.44
PTGER4 P35408 1/20 0.43
BACE1 P56817 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL8313706 0.89 PTGER4 (0.47) POLBLMNAGAANPC1RAB9A
SCHEMBL533064 0.87 MAPT (0.56) POLBLMNAGAANPC1RAB9A
SCHEMBL532983 0.86 MAPT (0.46) POLBLMNAGAANPC1RAB9A
SCHEMBL534076 0.85 POLB (0.53) POLBLMNAGAANPC1RAB9A
SCHEMBL532801 0.84 GAA (0.48) LMNAGAANPC1RAB9AKMT2A
SCHEMBL532964 0.84 L3MBTL1 (0.47) LMNAGAANPC1RAB9AKMT2A
SCHEMBL532950 0.84 KMT2A (0.56) LMNAGAANPC1RAB9AKMT2A
SCHEMBL8321708 0.83 ALDH1A1 (0.46) POLBLMNAGAANPC1RAB9A
SCHEMBL532973 0.83 MAPT (0.44) POLBLMNAGAANPC1RAB9A
SCHEMBL533116 0.83 MAPT (0.46) POLBLMNAGAANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415760-A2 CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2012-02-08 EP disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 US disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 US disclosed
US-7319111-B2 Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-15 US disclosed