SCHEMBL9080477

SCHEMBL9080477

NC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC12CC2

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.65
ALDH1A1 P00352 6/20 0.52
HPGD P15428 5/20 0.52
HSD17B10 Q99714 5/20 0.52
PMP22 Q01453 1/20 0.51
KCNH2 Q12809 3/20 0.48
TOP1 P11387 5/20 0.42
POLB P06746 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
ALB P02768 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ADRA2B P18089 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL9077990 0.96 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9078399 0.92 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9079454 0.91 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9080617 0.88 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9079944 0.88 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9079571 0.84 KCNH2 (0.47) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8775414 0.84 ALDH1A1 (0.58) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL9077692 0.84 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9080092 0.84 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9667565 0.82 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10PMP22

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5508428-A Spiro compound DAIICHI PHAMACEUTICAL CO., LTD. (JP) 1996-04-16 US disclosed
US-5286723-A Spiro compound DAIICHI SEIYAKU CO., LTD. 1994-02-15 US disclosed
EP-0357047-B1 Spiro compounds DAIICHI SEIYAKU CO (JP) 1993-11-03 EP disclosed
EP-0529688-A2 Azaspiro n,m alkanes and diazaspiro n,m -alkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
EP-0357047-A1 Spiro compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1990-03-07 EP disclosed