SCHEMBL7370903

SCHEMBL7370903

COc1ccc(NC(=O)Nc2ccnc3ccccc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.70
HTR2B P41595 7/20 0.70
IGF1R P08069 1/20 0.67
HTT P42858 1/20 0.66
PDGFRA P16234 2/20 0.61
RAB9A P51151 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.59
NPC1 O15118 4/20 0.59
MAPT P10636 3/20 0.59
TP53 P04637 2/20 0.59
MEN1 O00255 1/20 0.59
POLB P06746 1/20 0.59
TSHR P16473 1/20 0.59
KMT2A Q03164 1/20 0.59
GSK3A P49840 1/20 0.57
GSK3B P49841 1/20 0.57
RECQL P46063 1/20 0.57
PKM P14618 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56

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
SCHEMBL7447703 0.88 HTR2C (0.71) HTR2CHTR2BRAB9ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL7655749 0.88 HTR2C (0.65) HTR2CHTR2BIGF1RHTTPDGFRA
SCHEMBL7447310 0.86 HTR2C (0.67) HTR2CHTR2BHTTPDGFRARAB9A
SCHEMBL3807061 0.85 HTR2C (0.73) HTR2CHTR2BMAPTGSK3AGSK3B
SCHEMBL7659932 0.84 HTR2C (0.67) HTR2CHTR2BIGF1RSMN1; SMN2MAPT
SCHEMBL7375771 0.84 HTR2C (0.81) HTR2CHTR2BIGF1RPDGFRARAB9A
SCHEMBL7451973 0.84 IGF1R (0.69) HTR2CHTR2BIGF1RRAB9ANPC1
Dimethylamine SCHEMBL7660199 0.84 HTR2C (0.72) HTR2CHTR2BMAPTMEN1KMT2A
SCHEMBL27579461 0.83 PLK4 (0.73) HTR2CHTR2BHTTSMN1; SMN2MEN1
SCHEMBL7666349 0.83 PDGFRA (0.62) HTR2CHTR2BIGF1RPDGFRARAB9A

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 4 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
EP-1003737-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS HFGAN72 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-05-31 EP disclosed
WO-1999009024-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS HFGAN72 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-02-25 WO disclosed