SCHEMBL6952257

SCHEMBL6952257

CCCCN1CCN(CCCNC(=O)c2nn(CCC)c3ccccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.53
CNR2 P34972 4/20 0.53
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 2/20 0.52
TSHR P16473 1/20 0.52
TP53 P04637 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
CYP2D6 P10635 1/20 0.49
HTR1A P08908 3/20 0.48
DRD2 P14416 3/20 0.48
HTR2A P28223 3/20 0.48
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.46

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 0.96 CNR1 (0.53) CNR1CNR2HSD17B10KDM4ETSHR
SCHEMBL6950281 0.93 CNR1 (0.56) CNR1CNR2HSD17B10KDM4ETSHR
Hydrochloric Acid SCHEMBL7390634 0.92 KDM4E (0.52) CNR1CNR2HSD17B10KDM4ETSHR
SCHEMBL6944919 0.90 CNR1 (0.58) CNR1CNR2SMN1; SMN2HTR1ADRD2
SCHEMBL6955741 0.90 MEN1 (0.53) CNR1CNR2HSD17B10KDM4ETSHR
SCHEMBL6948507 0.89 CNR1 (0.51) CNR1CNR2HSD17B10KDM4ETSHR
SCHEMBL6951462 0.88 HTR4 (0.51) CNR1CNR2HTR2A
SCHEMBL6955313 0.88 SMN1; SMN2 (0.51) CNR1CNR2HSD17B10KDM4ESMN1; SMN2
Oxalic Acid SCHEMBL7393497 0.88 CNR1 (0.48) CNR1CNR2HSD17B10KDM4ETSHR
Hydrochloric Acid SCHEMBL7393720 0.86 KDM4E (0.53) CNR1CNR2HSD17B10KDM4ETSHR

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