SCHEMBL7654391

SCHEMBL7654391

O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)Nc1ccnc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.67
HTR2B P41595 8/20 0.67
KDR P35968 2/20 0.60
TRPV1 Q8NER1 4/20 0.54
IGF1R P08069 3/20 0.53
BRAF P15056 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
MAPK14 Q16539 1/20 0.49
TNNI3K Q59H18 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49

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
SCHEMBL7369475 0.86 HTR2C (0.75) HTR2CHTR2BKDRTRPV1MEN1
SCHEMBL7375350 0.83 HTR2C (0.74) HTR2CHTR2BKDRMEN1NPC1
Hydrochloric Acid SCHEMBL7657753 0.81 HTR2C (0.71) HTR2CHTR2BKDRTRPV1IGF1R
SCHEMBL7657145 0.80 TRPV1 (0.46) HTR2CHTR2BKDRTRPV1BRAF
SCHEMBL7369937 0.80 HTR2C (0.70) HTR2CHTR2BKDRIGF1RMEN1
Hydrochloric Acid SCHEMBL7664592 0.79 HTR2C (0.98) HTR2CHTR2BKDRIGF1RMEN1
Hydrochloric Acid SCHEMBL7657712 0.79 HTR2C (0.69) HTR2CHTR2BKDRTRPV1IGF1R
SCHEMBL4556067 0.79 KDR (0.75) KDRTRPV1BRAFMEN1NPC1
SCHEMBL7371124 0.79 FADS1 (0.67) HTR2CHTR2BKDRTRPV1MEN1
SCHEMBL13906661 0.78 NPC1 (0.69) KDRTRPV1BRAFMEN1NPC1

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
US-6410529-B1 DIETETICS; NON-INSULIN DEPENDENT DIABETES; SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US claimed
US-6410529-B1 DIETETICS; NON-INSULIN DEPENDENT DIABETES; SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US disclosed