SCHEMBL7220974

SCHEMBL7220974

NCC[CH]C(c1ccncc1)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.38
DPP8 Q6V1X1 1/20 0.38
MAPK14 Q16539 3/20 0.33
LOXL2 Q9Y4K0 2/20 0.33
CYP19A1 P11511 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
USP2 O75604 1/20 0.33
RAB9A P51151 1/20 0.33
LTA4H P09960 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP17A1 P05093 1/20 0.33
GCGR P47871 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
ROCK2 O75116 1/20 0.32
MAPKAPK2 P49137 1/20 0.32

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
SCHEMBL7216749 0.86 LOXL2 (0.38) DPP4DPP8MAPK14LOXL2CYP19A1
SCHEMBL7221098 0.80 TAAR1 (0.39) MAPK14TAAR1MAPK13MAPK12MAPK11
SCHEMBL7214541 0.78 USP2 (0.39) DPP4DPP8MAPK14CYP19A1TAAR1
SCHEMBL7216729 0.76 ACHE (0.48) MAPK14LTA4HMAPK13MAPK12MAPK11
SCHEMBL7221460 0.75 KMT2A (0.40) TAAR1USP2RAB9ALTA4HROCK2
SCHEMBL7217023 0.75 ACHE (0.49) MAPK14LTA4HMAPK13MAPK12MAPK11
SCHEMBL4617053 0.74 HRH1 (0.50) DPP4DPP8CYP19A1SLC6A3CYP17A1
SCHEMBL7220239 0.73 ACHE (0.52) MAPK14MAPK13MAPK12MAPK11SLC6A3
SCHEMBL2789136 0.73 LTA4H (0.42) MAPK14CYP19A1TAAR1USP2RAB9A
SCHEMBL7221128 0.73 MEN1 (0.36) DPP4DPP8TAAR1USP2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630485-B2 For therapy of inflammatory disease SYNTEX (U.S.A.) LLC 2003-10-07 US disclosed
US-6479507-B2 MODULATION OF THESE INFLAMMATORY CYTOKINES IS CONSIDERED ONE OF THE MOST EFFECTIVE STRATEGIES TO BLOCK CHRONIC INFLAMMATION AND HAVE POSITIVE THERAPEUTIC OUTCOMES SYNTEX (U.S.A.) LLC 2002-11-12 US disclosed
US-6316464-B1 P38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US disclosed