SCHEMBL6975941

SCHEMBL6975941

O=C1CCCCC1CCc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
HSD17B10 Q99714 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH1 P35367 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL5594233 0.88 KDM4E (0.44) KDM4EHSD17B10HPGDMEN1KMT2A
SCHEMBL6968938 0.80 PSEN1 (0.47) HSD17B10HRH3NPC1RAB9AHPGD
SCHEMBL18253939 0.78 KDM4E (0.56) KDM4ENPC1RAB9AHPGDSMN1; SMN2
SCHEMBL182214 0.76 KDM4E (0.59) KDM4ENPC1RAB9AHPGDSMN1; SMN2
SCHEMBL6969464 0.76 HSD17B10 (0.40) HSD17B10HRH3NPC1RAB9AHPGD
SCHEMBL18253935 0.76 KDM4E (0.53) KDM4ENPC1RAB9AHPGDSMN1; SMN2
SCHEMBL6850513 0.74 HPGD (0.57) HSD17B10HRH3NPC1RAB9AHPGD
SCHEMBL29706725 0.73 HPGD (0.51) HSD17B10HRH3NPC1RAB9AHPGD
SCHEMBL8200314 0.72 HRH1 (0.53) HSD17B10HRH3NPC1RAB9AHPGD
SCHEMBL18440463 0.71 KDM4E (0.53) KDM4ENPC1RAB9ASMN1; SMN2LMNA

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-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed