SCHEMBL6623992

SCHEMBL6623992

CCc1cc(NC(=O)NCC[C@@H](CO)N2CC(C(=O)c3ccc(Cl)c(F)c3)C2)n(C)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
MAPK3 P27361 1/20 0.38
ALDH1A1 P00352 1/20 0.34
KDM2B Q8NHM5 1/20 0.33
RPS6KA1 Q15418 1/20 0.32
CYP1A2 P05177 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
IDO1 P14902 1/20 0.32
KCNH2 Q12809 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL6702187 0.77 CCR3 (0.42)
SCHEMBL5762925 0.76 MAPT (0.36) MEN1KMT2AMAPTPOLB
SCHEMBL6623481 0.76 MAPT (0.36) ALDH1A1CYP1A2MEN1KMT2AMAPT
SCHEMBL5761023 0.76 MAPT (0.38) ALDH1A1MEN1KMT2AMAPT
SCHEMBL5762210 0.75 MAPT (0.35) MEN1KMT2AMAPT
SCHEMBL6637614 0.71 NTRK1 (0.42) KDM2BMEN1KMT2AIDO1
SCHEMBL6622074 0.71 SCN9A (0.37) ALDH1A1CYP1A2MEN1KMT2AMAPT
SCHEMBL6637339 0.65 RAB9A (0.40) MAPK1ALDH1A1MEN1KMT2AMAPT
SCHEMBL6620915 0.64 CYP3A4 (0.43) MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL5341112 0.64 KDM2B (0.42) ALDH1A1KDM2BMEN1KMT2AKCNH2

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
EP-1487435-A1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS Novartis AG (CH) 2004-12-22 EP disclosed
WO-2003077907-A1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2003-09-25 WO disclosed