SCHEMBL8942340

SCHEMBL8942340

NC1CN(c2cc3nc4c(cc3cc2F)c(=O)c(C(=O)O)cn4C2CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.54
ALDH1A1 P00352 4/20 0.49
CHRM2 P08172 2/20 0.49
POLB P06746 1/20 0.49
CHRM1 P11229 1/20 0.49
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 4/20 0.48
LMNA P02545 3/20 0.48
HSD17B10 Q99714 3/20 0.48
TOP2A P11388 3/20 0.48
TOP2B Q02880 3/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
DRD1 P21728 1/20 0.48
MAPT P10636 1/20 0.46
ABCC4 O15439 1/20 0.45
EPHA2 P29317 1/20 0.44

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
SCHEMBL8941960 0.89 DPP4 (0.49) DPP4ALDH1A1CHRM2KDM4ELMNA
SCHEMBL8942140 0.88 DPP4 (0.48) DPP4ALDH1A1CHRM2KDM4ELMNA
SCHEMBL8941991 0.88 DPP4 (0.48) DPP4ALDH1A1CHRM2KDM4ELMNA
SCHEMBL8941959 0.87 ADRB2 (0.43) DPP4ALDH1A1CHRM2POLBCHRM1
SCHEMBL8942094 0.87 DPP4 (0.48) DPP4ALDH1A1CHRM2POLBCHRM1
SCHEMBL8942000 0.86 KMT2A (0.48) DPP4ALDH1A1CHRM2POLBCHRM1
SCHEMBL8941969 0.86 DPP4 (0.48) DPP4ALDH1A1CHRM2KDM4ELMNA
SCHEMBL9526209 0.86 KDM4E (0.68) DPP4ALDH1A1CHRM2POLBKDM4E
SCHEMBL9775862 0.86 ALDH1A1 (0.55) DPP4ALDH1A1CHRM2KMT2AKDM4E
SCHEMBL8942120 0.86 DPP4 (0.53) DPP4ALDH1A1CHRM2POLBCHRM1

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