SCHEMBL8942013

SCHEMBL8942013

CC1C(N)CN1c1cc2nc3c(cc2cc1F)c(=O)c(C(=O)O)cn3C1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.51
CHRM2 P08172 2/20 0.46
DRD1 P21728 1/20 0.46
KDM4E B2RXH2 4/20 0.43
LMNA P02545 3/20 0.43
HSD17B10 Q99714 3/20 0.43
ABCC4 O15439 1/20 0.43
ALDH1A1 P00352 4/20 0.42
TOP2A P11388 4/20 0.42
TOP2B Q02880 4/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
POLB P06746 1/20 0.41
CHRM1 P11229 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHA2 P29317 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
SCHEMBL8942016 1.00 DPP4 (0.51) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL8942007 1.00 DPP4 (0.51) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL8942138 0.89 DPP4 (0.49) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL8942248 0.88 ADRB2 (0.41) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL8942250 0.88 ADRB2 (0.41) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL8942242 0.88 ADRB2 (0.41) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL8942029 0.88 EPHA2 (0.41) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL8942022 0.88 EPHA2 (0.41) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL8942027 0.88 EPHA2 (0.41) DPP4CHRM2DRD1KDM4ELMNA
SCHEMBL8942340 0.85 DPP4 (0.54) DPP4CHRM2DRD1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5556861-A 1,8 benzonaphthyridine derivatives and antimicrobial compositions LABORATOIRE ROGER BELLON (FR) 1996-09-17 US claimed
US-5556861-A 1,8 benzonaphthyridine derivatives and antimicrobial compositions LABORATOIRE ROGER BELLON (FR) 1996-09-17 US disclosed