SCHEMBL21170090

SCHEMBL21170090

CC(CNc1ccc(-c2cccc(CO)c2)nn1)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
FYN P06241 2/20 0.36
MET P08581 1/20 0.35
PSEN1 P49768 3/20 0.35
PSEN2 P49810 3/20 0.35
APH1B Q8WW43 3/20 0.35
NCSTN Q92542 3/20 0.35
APH1A Q96BI3 3/20 0.35
PSENEN Q9NZ42 3/20 0.35
MAPK14 Q16539 1/20 0.35
ACHE P22303 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
FAAH O00519 1/20 0.34
PRKCI P41743 1/20 0.34

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
SCHEMBL12287723 0.83 DPP4 (0.42) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL12287289 0.83 DPP4 (0.42) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL21170038 0.83 DPP4 (0.42) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL21170185 0.82 TRPM8 (0.41) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL21170091 0.82 MAP4K4 (0.38) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL21170143 0.82 GABRG2 (0.43) NPY5RNPC1RAB9AMEN1KMT2A
SCHEMBL21170174 0.81 GPR52 (0.42) FYNMAPK14
SCHEMBL21170310 0.80 ADORA1 (0.41) KMT2AALDH1A1
SCHEMBL21170220 0.79 FAAH (0.43) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL12286561 0.78 NPC1 (0.39) NPY5RNPC1RAB9AMEN1KMT2A

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-3127541-B1 CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE CYTOKINETICS INC (US) 2019-07-17 EP disclosed