SCHEMBL9775867

SCHEMBL9775867

CCN1CCN(c2cc3nc4c(cc3cc2F)c(=O)c(C(=O)O)cn4C2CC2)CC1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.69
ALDH1A1 P00352 3/20 0.69
LMNA P02545 2/20 0.69
HPGD P15428 2/20 0.69
HSD17B10 Q99714 2/20 0.69
MAPT P10636 1/20 0.69
CYP1A2 P05177 1/20 0.50
TOP2A P11388 1/20 0.50
CYP2C9 P11712 1/20 0.50
TOP2B Q02880 1/20 0.50
HRH3 Q9Y5N1 1/20 0.46
DRD3 P35462 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
DPP4 P27487 3/20 0.46
CHRM2 P08172 1/20 0.46
DRD1 P21728 1/20 0.46
DHFR P00374 1/20 0.46
PIK3CG P48736 2/20 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
SCHEMBL9775941 0.90 KDM4E (0.56) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9775862 0.90 ALDH1A1 (0.55) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9775938 0.87 ALDH1A1 (0.55) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9775875 0.87 DRD3 (0.56) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9526209 0.86 KDM4E (0.68) KDM4EALDH1A1LMNAHPGDHSD17B10
Water SCHEMBL9775975 0.85 KDM4E (0.67) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9775905 0.84 KDM4E (0.49) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8942126 0.84 KDM4E (0.49) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8942264 0.84 KDM4E (0.49) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8941960 0.84 DPP4 (0.49) KDM4EALDH1A1LMNAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5004745-A Benzo[1,8]naphthyridine derivatives, their preparation and the compositions which contain them LABORATOIRE ROGER BELLON (FR) 1991-04-02 US disclosed
US-4990515-A Chemical intermediates RHONE-POULENC SANTE (FR) 1991-02-05 US disclosed
US-4970213-A Benzo(1,8)naphthyridine derivatives as intermediates RHONE-POULENC SANTE (FR) 1990-11-13 US disclosed