SCHEMBL11209760

SCHEMBL11209760

CCCN1CCN(c2cc3[nH]c(NC)c(C(=O)O)c(=O)c3cc2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.41
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 7/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 4/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 2/20 0.39
BRD4 O60885 1/20 0.39
HTT P42858 1/20 0.39
CYP2J2 P51589 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
GAA P10253 2/20 0.38
RAD52 P43351 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL11199207 0.92 ALDH1A1 (0.48) DRD3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11204174 0.89 ALDH1A1 (0.47) DRD3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11203701 0.84 HPGD (0.43) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL11204668 0.83 PIM1 (0.40) DRD3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11208613 0.80 GAA (0.47) DRD3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11205213 0.79 PIM1 (0.42) DRD3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11203471 0.73 GPR84 (0.38) ALDH1A1KDM4E
SCHEMBL3474228 0.72 ALDH1A1 (0.53) DRD3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10925266 0.71 DRD3 (0.61) DRD3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10911793 0.68 KCNH2 (0.41) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0090424-A1 New quinolone compounds and preparation thereof STERLING DRUG INC. (US) 1983-10-05 EP disclosed