SCHEMBL7369475

SCHEMBL7369475

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.75
HTR2B P41595 8/20 0.75
MEN1 O00255 4/20 0.59
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
KMT2A Q03164 4/20 0.59
MAPT P10636 3/20 0.58
POLB P06746 2/20 0.58
GAA P10253 1/20 0.58
TRPV1 Q8NER1 2/20 0.57
EPHX1 P07099 1/20 0.56
EPHX2 P34913 1/20 0.56
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.55
NFKB1 P19838 1/20 0.55
GFER P55789 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55

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
SCHEMBL7375350 0.89 HTR2C (0.74) HTR2CHTR2BMEN1NPC1RAB9A
SCHEMBL7654391 0.86 HTR2C (0.67) HTR2CHTR2BMEN1NPC1RAB9A
SCHEMBL7369937 0.85 HTR2C (0.70) HTR2CHTR2BMEN1NPC1RAB9A
SCHEMBL10436769 0.85 HTR2C (0.56) HTR2CHTR2BMEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL7664592 0.85 HTR2C (0.98) HTR2CHTR2BMEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL7657712 0.85 HTR2C (0.69) HTR2CHTR2BMEN1NPC1RAB9A
SCHEMBL7371124 0.85 FADS1 (0.67) HTR2CHTR2BMEN1NPC1RAB9A
SCHEMBL27579461 0.83 PLK4 (0.73) HTR2CHTR2BMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL7654414 0.83 HTR2C (0.63) HTR2CHTR2BMEN1NPC1RAB9A
SCHEMBL7372365 0.82 PABPC1 (0.61) HTR2CHTR2BMEN1NPC1RAB9A

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