SCHEMBL6589222

SCHEMBL6589222

Cc1cc(NC(=O)Nc2ccc3c(ccn3C)c2)c2ccccc2n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.74
HTR2B P41595 4/20 0.74
IGF1R P08069 4/20 0.61
MAPT P10636 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 3/20 0.57
TP53 P04637 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C19 P33261 2/20 0.57
RECQL P46063 2/20 0.57
LMNA P02545 1/20 0.57
CYP2C9 P11712 1/20 0.57
PKM P14618 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57

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
Hydrochloric Acid SCHEMBL8945116 0.99 HTR2C (0.72) HTR2CHTR2BIGF1RMAPTMEN1
SCHEMBL7660018 0.85 HTR2C (1.00) HTR2CHTR2BMAPTMEN1KMT2A
SCHEMBL8944851 0.82 HTR2C (0.86) HTR2CHTR2BMAPTMEN1KMT2A
SCHEMBL6586520 0.81 IGF1R (0.79) IGF1RMAPTMEN1KMT2ARAB9A
SCHEMBL4855474 0.81 HTT (0.75) IGF1RMAPTMEN1KMT2ARAB9A
SCHEMBL6587428 0.80 IGF1R (0.70) IGF1RMAPTMEN1KMT2ARAB9A
SCHEMBL6588598 0.80 IGF1R (0.77) IGF1RMAPTMEN1KMT2ARAB9A
SCHEMBL8944936 0.79 HTR2C (0.66) HTR2CHTR2BMAPTMEN1KMT2A
SCHEMBL21379454 0.78 HTR2C (0.60) HTR2CHTR2BMAPTMEN1KMT2A
SCHEMBL6588862 0.78 IGF1R (0.77) IGF1RMAPTMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150977-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP claimed
US-6699879-B1 OBESITY, DIABETES, SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-02 US claimed
EP-1150977-B1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
US-6699879-B1 OBESITY, DIABETES, SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-02 US disclosed
EP-1150977-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-11-07 EP disclosed
WO-2000047577-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-08-17 WO disclosed