SCHEMBL6952232

SCHEMBL6952232

CCC(CC)n1nc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 9/20 0.59
▸ HTR2A P28223 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.52
▸ ATM Q13315 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ KCNH2 Q12809 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ BCHE P06276 1/20 0.47
▸ ACHE P22303 1/20 0.47

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
SCHEMBL8173566 0.91 HTR4 (0.61) HTR4HTR2AKDM4EATMNPSR1
SCHEMBL6949375 0.90 HTR4 (0.52) HTR4HTR2AKDM4EKCNH2ALDH1A1
Hydrochloric Acid SCHEMBL7394644 0.89 HTR4 (0.73) HTR4HTR2AKCNH2
SCHEMBL6944917 0.88 HTR4 (0.51) HTR4HTR2AKCNH2
SCHEMBL6953798 0.86 HTR4 (0.53) HTR4HTR2AKDM4EKCNH2
SCHEMBL6946861 0.84 KDM4E (0.54) HTR4KDM4EATMNPSR1ALDH1A1
Hydrochloric Acid SCHEMBL7394647 0.83 KDM4E (0.53) HTR4HTR2AKDM4EATMNPSR1
SCHEMBL6952236 0.82 CNR1 (0.54) HTR4KDM4EATMNPSR1ALDH1A1
SCHEMBL6957277 0.81 HTR4 (0.53) HTR4HTR2AKDM4EKCNH2ALDH1A1
SCHEMBL6946867 0.79 HTR4 (0.52) HTR4HTR2AKCNH2

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
EP-0829474-B1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN SEIFUN GROUP INC (JP) 2003-04-09 — — EP disclosed
US-6096746-A Indazole compound containing a monocyclic amine structure NISSHIN FLOUR MILLING CO., LTD. (JP) 2000-08-01 — — US disclosed
US-5945434-A TREATMENT OF GASTROINTESTINAL DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1999-08-31 — — US disclosed
EP-0829474-A1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-03-18 — — EP disclosed
Send feedback