SCHEMBL6950281

SCHEMBL6950281

CCCCCN1CCN(CCNC(=O)c2nn(CCC)c3ccccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.56
CNR2 P34972 7/20 0.56
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTR1A P08908 4/20 0.47
DRD2 P14416 4/20 0.47
HTR2A P28223 4/20 0.47
SLC2A1 P11166 1/20 0.45

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
SCHEMBL6948551 0.97 CNR1 (0.53) CNR1CNR2MEN1KMT2ASMN1; SMN2
SCHEMBL6944919 0.96 CNR1 (0.58) CNR1CNR2MEN1KMT2ASMN1; SMN2
SCHEMBL6955741 0.93 MEN1 (0.53) CNR1CNR2MEN1KMT2ASMN1; SMN2
SCHEMBL6949382 0.93 CNR1 (0.57) CNR1CNR2MEN1KMT2ASMN1; SMN2
SCHEMBL6952257 0.93 CNR1 (0.53) CNR1CNR2KMT2ASMN1; SMN2KDM4E
SCHEMBL6955313 0.91 SMN1; SMN2 (0.51) CNR1CNR2MEN1KMT2ASMN1; SMN2
SCHEMBL6948507 0.90 CNR1 (0.51) CNR1CNR2MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL7393720 0.89 KDM4E (0.53) CNR1CNR2MEN1KMT2ASMN1; SMN2
SCHEMBL6952236 0.89 CNR1 (0.54) CNR1CNR2KDM4ETSHR
SCHEMBL6953804 0.89 CNR1 (0.56) CNR1CNR2MEN1KMT2ASMN1; SMN2

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 7 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 claimed
US-6096746-A Indazole compound containing a monocyclic amine structure NISSHIN FLOUR MILLING CO., LTD. (JP) 2000-08-01 US claimed
EP-0829474-A1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-03-18 EP claimed
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