SCHEMBL6957277

SCHEMBL6957277

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 18/20 0.53
▸ KCNH2 Q12809 4/20 0.53
▸ HTR2A P28223 6/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL6946867 0.92 HTR4 (0.52) HTR4KCNH2HTR2A
SCHEMBL6949375 0.91 HTR4 (0.52) HTR4KCNH2HTR2ASMN1; SMN2KDM4E
SCHEMBL8173566 0.90 HTR4 (0.61) HTR4KCNH2HTR2AKDM4E
SCHEMBL6951920 0.90 HTR4 (0.55) HTR4KCNH2HTR2ASMN1; SMN2KDM4E
SCHEMBL6950149 0.83 HTR4 (0.61) HTR4KCNH2HTR2A
SCHEMBL6944917 0.82 HTR4 (0.51) HTR4KCNH2HTR2ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL7393717 0.82 HTR4 (0.65) HTR4KCNH2HTR2A
SCHEMBL6955313 0.82 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1HPGDHTT
Hydrochloric Acid SCHEMBL7394154 0.81 HTR4 (0.66) HTR4KCNH2HTR2A
SCHEMBL6952232 0.81 HTR4 (0.59) HTR4KCNH2HTR2AKDM4EALDH1A1

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
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