SCHEMBL14137752

SCHEMBL14137752

COC(Cc1ccc(N)cc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.44
MAOB P27338 5/20 0.44
MAOA P21397 4/20 0.44
PDE4A P27815 1/20 0.43
F2 P00734 2/20 0.39
PRSS1 P07477 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
SLC6A2 P23975 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP2A6 P11509 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4056401 0.87 SIGMAR1 (0.46) MAOASLC6A2TAAR1SLC6A4SLC6A3
SCHEMBL7006959 0.82 ESR1 (0.47) SLC6A2TAAR1SIGMAR1
SCHEMBL5023592 0.81 SOAT1 (0.41) SOAT1MAOBMAOAPDE4AF2
Bicarbonate SCHEMBL28105724 0.80 EPHX1 (0.49) RAB9ANPC1
SCHEMBL14119146 0.78 SLC7A5 (0.48) RAB9ANPC1TAAR1SIGMAR1GAA
SCHEMBL27608757 0.78 SOAT1 (0.51) SOAT1RAB9ANPC1SMN1; SMN2
SCHEMBL28131612 0.76 SIGMAR1 (0.48) SIGMAR1
SCHEMBL8732205 0.76 TAAR1 (0.52) SOAT1MAOBMAOARAB9ANPC1
SCHEMBL730661 0.75 SLC6A2 (0.53) SOAT1MAOBMAOAPDE4ASLC6A2
SCHEMBL12665322 0.75 SLC6A4 (0.44) MAOBMAOARAB9ANPC1SLC6A2

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-1332133-B1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2008-07-09 EP disclosed