SCHEMBL7220601

SCHEMBL7220601

NC(=O)C1CCCN1C[CH]C(c1ccncc1)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.41
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
DPP4 P27487 1/20 0.38
PRCP P42785 1/20 0.37
SCN3A Q9NY46 1/20 0.37
POLB P06746 2/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
LMNA P02545 1/20 0.36
SCN9A Q15858 2/20 0.36
OPRM1 P35372 1/20 0.36
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
THRB P10828 1/20 0.35
ALOX12 P18054 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALK Q9UM73 1/20 0.35

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
SCHEMBL7215286 0.78 KMT2A (0.46) PRCPKMT2AKDM4E
SCHEMBL7216865 0.73 ACHE (0.43) SCN3AHTR1ALMNAOPRM1L3MBTL1
SCHEMBL7220444 0.73 PRCP (0.41) PRCPHTR7OPRM1
SCHEMBL7215357 0.71 PRCP (0.40) PRCPHTR7KMT2A
SCHEMBL7214547 0.71 MAOB (0.39) MAOBPRCPLMNAKMT2A
SCHEMBL9151576 0.71 MAOB (0.64) GRM2MAOAMAOBDPP4SCN3A
SCHEMBL9147565 0.71 MAOB (0.64) GRM2MAOAMAOBDPP4SCN3A
SCHEMBL12748169 0.70 SIGMAR1 (0.53) KMT2A
SCHEMBL7216927 0.68 KDM4E (0.49) PRCPLMNAKDM4E
SCHEMBL7216749 0.67 LOXL2 (0.38) DPP4

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