SCHEMBL2848233

SCHEMBL2848233

CCN(CC)CCCC(C)NC(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
CCR2 P41597 8/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
MAPT P10636 4/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CCR5 P51681 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NSD1 Q96L73 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PRNP P04156 1/20 0.39
APP P05067 1/20 0.39
CHRM2 P08172 1/20 0.39

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
SCHEMBL2852086 0.85 ITGB3 (0.53) LMNAITGB3ITGA2BMAPTNPC1
SCHEMBL2854478 0.83 ITGB3 (0.46) LMNAITGB3ITGA2BMAPTNPC1
SCHEMBL2858063 0.78 MAPT (0.57) LMNAMAPTNPC1RAB9ANPSR1
SCHEMBL2860983 0.76 MAPT (0.49) LMNAITGB3ITGA2BMAPTNPC1
SCHEMBL2854032 0.74 MAPT (0.43) ITGB3ITGA2BMAPTNPC1RAB9A
SCHEMBL2854457 0.73 CYP3A4 (0.43) MAPTNPC1RAB9ANPSR1
SCHEMBL2854401 0.73 RAB9A (0.46) LMNAMAPTNPC1RAB9ANPSR1
SCHEMBL2856949 0.72 LPAR1 (0.48) LMNAMAPTNPC1RAB9ANPSR1
SCHEMBL2850038 0.72 MAPT (0.46) LMNAMAPTNPC1RAB9ANPSR1
SCHEMBL2856094 0.72 MAPT (0.42) ITGB3ITGA2BMAPTNPC1RAB9A

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed