SCHEMBL8942015

SCHEMBL8942015

CCC1(N)CN(c2cc3nc4c(cc3cc2F)c(=O)c(C(=O)O)cn4C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.41
LMNA P02545 6/20 0.40
CYP2C9 P11712 1/20 0.40
ATP6V1B2 P21281 1/20 0.40
TBXA2R P21731 1/20 0.40
EDNRA P25101 1/20 0.40
TARBP2 Q15633 1/20 0.40
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 5/20 0.39
HPGD P15428 5/20 0.39
HSD17B10 Q99714 5/20 0.39
HTT P42858 3/20 0.39
TSHR P16473 2/20 0.39
BRD4 O60885 1/20 0.39
CYP2J2 P51589 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 7/20 0.39
MEN1 O00255 6/20 0.39
NPC1 O15118 1/20 0.39
KCNH2 Q12809 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
SCHEMBL8941954 0.93 DRD3 (0.40) DRD3LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL8941958 0.90 ALDH1A1 (0.39) DRD3LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL8942264 0.88 KDM4E (0.49) LMNACYP2C9ALDH1A1KDM4EHPGD
SCHEMBL8942146 0.86 ALDH1A1 (0.39) DRD3LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL8942093 0.85 DRD3 (0.40) DRD3LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL8941927 0.85 EPHA2 (0.38) DRD3LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL8941985 0.84 ALDH1A1 (0.38) DRD3LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL8941941 0.84 KDM4E (0.49) LMNACYP2C9ALDH1A1KDM4EHPGD
SCHEMBL9775938 0.83 ALDH1A1 (0.55) DRD3LMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL8942000 0.83 KMT2A (0.48) DRD3LMNACYP2C9ATP6V1B2TBXA2R

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