SCHEMBL7320412

SCHEMBL7320412

O=C(O)c1c2n(c3ccccc13)CCCC2

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.51
HTR2C P28335 3/20 0.51
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 2/20 0.44
GLA P06280 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
ALOX15 P16050 1/20 0.44
EGFR P00533 1/20 0.42
POLB P06746 1/20 0.41
RAD52 P43351 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL7321490 0.98 HTR2A (0.50) HTR2AHTR2CKMT2AKDM4EMEN1
SCHEMBL31487168 0.98 HTR2A (0.50) HTR2AHTR2CKMT2AKDM4EMEN1
SCHEMBL31486786 0.95 HTR2A (0.52) HTR2AHTR2CKMT2AKDM4EMEN1
SCHEMBL7321799 0.95 HTR2A (0.52) HTR2AHTR2CKMT2AKDM4EMEN1
SCHEMBL24916794 0.86 HTR2A (0.50) HTR2AHTR2CKMT2AKDM4EMEN1
SCHEMBL31486982 0.81 HTR2A (0.42) HTR2AHTR2CEGFRPOLBRAD52
SCHEMBL31486998 0.81 HTR2A (0.48) HTR2AHTR2CALDH1A1EGFRPOLB
SCHEMBL31486784 0.79 KMT2A (0.51) KMT2AKDM4EALDH1A1GAAALOX15
SCHEMBL7324371 0.78 ALDH1A1 (0.73) HTR2AHTR2CKMT2AKDM4EMEN1
SCHEMBL31487043 0.78 ALDH1A1 (0.73) HTR2AHTR2CKMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998409-A GASTROINTESTINAL DISORDERS; CARDIOVASCULAR DISORDERS; NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM PLC (GB) 1999-12-07 US disclosed
EP-0630376-B1 CONDENSED INDOLE DERIVATIVES AS 5-HT4-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-06-02 EP disclosed
US-5852014-A Condensed indole derivatives as 5HT4 -receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 1998-12-22 US disclosed
EP-0630376-A1 CONDENSED INDOLE DERIVATIVES AS 5HT 4?-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-12-28 EP disclosed
WO-1993018036-A1 CONDENSED INDOLE DERIVATIVES AS 5HT4-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-09-16 WO disclosed