SCHEMBL6584858

SCHEMBL6584858

[NH]C(=O)c1ccc(Nc2cccc(-c3n[nH]cc3CBr)c2)cc1OC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.35
KCNK9 Q9NPC2 4/20 0.35
SYK P43405 1/20 0.35
PDE5A O76074 2/20 0.34
PDE1A P54750 2/20 0.34
PDE1B Q01064 2/20 0.34
PDE3B Q13370 2/20 0.34
PDE1C Q14123 2/20 0.34
PDE3A Q14432 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
F2R P25116 1/20 0.34
TRPA1 O75762 1/20 0.33
BRAF P15056 2/20 0.33
NTRK1 P04629 1/20 0.33
HTR2A P28223 1/20 0.33
MCHR1 Q99705 1/20 0.32
ABL1 P00519 2/20 0.32
AVPR2 P30518 1/20 0.32
GPR27 Q9NS67 1/20 0.32
BCR P11274 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
SCHEMBL6586018 0.86 NTRK1 (0.34) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL6592078 0.84 MAPK14 (0.36) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL6588569 0.84 JAK3 (0.34) PDE5APDE1APDE1BPDE3BPDE1C
SCHEMBL6587712 0.82 TTK (0.37) SYKPDE5APDE1APDE1BPDE3B
SCHEMBL6587108 0.81 TRPV1 (0.34)
SCHEMBL2949812 0.77 ALDH1A1 (0.48) KCNK3KCNK9SYKPDE5APDE1A
SCHEMBL6196071 0.74 HTR2A (0.62) NTRK1HTR2A
SCHEMBL6588599 0.73 NPC1 (0.55) ABL1
SCHEMBL6587750 0.73 CDC25B (0.36) RXFP1BRAF
SCHEMBL6587164 0.73 MAPK8 (0.39) BRAF

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071701-A4 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARM INC (US) 2004-04-21 EP disclosed
EP-1071701-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF Arena Pharmaceuticals, Inc. (US) 2001-01-31 EP disclosed
WO-1999052927-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARMACEUTICALS, INC. (US) 1999-10-21 WO disclosed