SCHEMBL6949375

SCHEMBL6949375

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 17/20 0.52
KCNH2 Q12809 3/20 0.52
HTR2A P28223 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL6944917 0.92 HTR4 (0.51) HTR4KCNH2HTR2ASMN1; SMN2MEN1
SCHEMBL6957277 0.91 HTR4 (0.53) HTR4KCNH2HTR2ASMN1; SMN2KDM4E
SCHEMBL6952232 0.90 HTR4 (0.59) HTR4KCNH2HTR2AKDM4EALDH1A1
SCHEMBL6953798 0.90 HTR4 (0.53) HTR4KCNH2HTR2ASMN1; SMN2KDM4E
SCHEMBL6955313 0.83 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1HPGDHTT
SCHEMBL6946867 0.82 HTR4 (0.52) HTR4KCNH2HTR2A
SCHEMBL6950149 0.82 HTR4 (0.61) HTR4KCNH2HTR2A
SCHEMBL8173566 0.81 HTR4 (0.61) HTR4KCNH2HTR2AKDM4E
Hydrochloric Acid SCHEMBL7393717 0.81 HTR4 (0.65) HTR4KCNH2HTR2A
SCHEMBL6951920 0.81 HTR4 (0.55) HTR4KCNH2HTR2ASMN1; SMN2KDM4E

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