SCHEMBL6953404

SCHEMBL6953404

C=CCN1CCN(CCNC(=O)c2nn(CCC)c3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CNR1 P21554 6/20 0.44
CNR2 P34972 5/20 0.44
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR3A P46098 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KCNH2 Q12809 2/20 0.41
HTR4 Q13639 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL6955741 0.91 MEN1 (0.53) MEN1KMT2ASMN1; SMN2CNR1CNR2
SCHEMBL6955313 0.89 SMN1; SMN2 (0.51) MEN1KMT2ASMN1; SMN2CNR1CNR2
SCHEMBL6956628 0.88 SMN1; SMN2 (0.48) MEN1KMT2ASMN1; SMN2CNR1CNR2
SCHEMBL6948551 0.88 CNR1 (0.53) MEN1KMT2ASMN1; SMN2CNR1CNR2
SCHEMBL6950281 0.87 CNR1 (0.56) MEN1KMT2ASMN1; SMN2CNR1CNR2
Hydrochloric Acid SCHEMBL7393720 0.86 KDM4E (0.53) MEN1KMT2ASMN1; SMN2CNR1CNR2
Hydrochloric Acid SCHEMBL7394157 0.85 KDM4E (0.55) MEN1KMT2ASMN1; SMN2CNR1CNR2
SCHEMBL6946861 0.85 KDM4E (0.54) MEN1KMT2ASMN1; SMN2CNR1CNR2
SCHEMBL6950902 0.85 HSD17B10 (0.51) MEN1KMT2ASMN1; SMN2CNR1CNR2
Hydrochloric Acid SCHEMBL7394647 0.84 KDM4E (0.53) MEN1KMT2ASMN1; SMN2CNR1CNR2

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