SCHEMBL14922983

SCHEMBL14922983

C[C@@H]1CC(c2ccc(OC(F)F)cc2)=NN1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.38
MAT2A P31153 6/20 0.36
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2B P41595 1/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
GRM5 P41594 1/20 0.34
F2RL3 Q96RI0 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SCN5A Q14524 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL14923013 0.79 GRM2 (0.41) LMNA
SCHEMBL10964792 0.75 MAOA (0.53) RAB9AMEN1NPC1KMT2AALDH1A1
SCHEMBL7202361 0.73 MEN1 (0.46) DRD1RAB9AMEN1NPC1KMT2A
SCHEMBL10072935 0.73 RAB9A (0.51) RAB9AMEN1KMT2AALDH1A1LMNA
SCHEMBL9182096 0.72 CXCL12 (0.42) MAT2ARAB9AMEN1NPC1KMT2A
SCHEMBL27593594 0.71 DRD1 (0.43) DRD1MAT2ARAB9AMEN1NPC1
SCHEMBL10964893 0.70 DRD1 (0.41) DRD1MAT2ARAB9AMEN1NPC1
SCHEMBL10966521 0.70 DRD1 (0.38) DRD1MAT2ARAB9AMEN1NPC1
SCHEMBL19283065 0.70 DRD1 (0.39) DRD1MAT2ARAB9AMEN1KMT2A
SCHEMBL20471236 0.69 LMNA (0.53) RAB9AMEN1KMT2AALDH1A1LMNA

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-2118067-B1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH SPA (IT) 2013-05-08 EP disclosed