SCHEMBL10657231

SCHEMBL10657231

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(/N=C/c4ccc(C)cc4)C3)cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.57
KDM4E B2RXH2 8/20 0.56
HPGD P15428 5/20 0.56
ALDH1A1 P00352 5/20 0.56
LMNA P02545 4/20 0.56
HSD17B10 Q99714 3/20 0.56
HTT P42858 3/20 0.56
TSHR P16473 2/20 0.56
BRD4 O60885 1/20 0.56
CYP2J2 P51589 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
USP2 O75604 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PIK3CD O00329 2/20 0.51
PIK3R1 P27986 2/20 0.51

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
SCHEMBL10657240 1.00 DRD3 (0.57) DRD3KDM4EHPGDALDH1A1LMNA
SCHEMBL10657249 1.00 DRD3 (0.57) DRD3KDM4EHPGDALDH1A1LMNA
SCHEMBL10657125 0.94 DRD3 (0.58) DRD3KDM4EHPGDALDH1A1LMNA
SCHEMBL10657143 0.94 DRD3 (0.58) DRD3KDM4EHPGDALDH1A1LMNA
SCHEMBL10657129 0.94 DRD3 (0.58) DRD3KDM4EHPGDALDH1A1LMNA
SCHEMBL10660043 0.94 HPGD (0.60) DRD3KDM4EHPGDALDH1A1LMNA
SCHEMBL10658987 0.94 HPGD (0.60) DRD3KDM4EHPGDALDH1A1LMNA
SCHEMBL10660047 0.90 DRD3 (0.53) DRD3KDM4EHPGDALDH1A1LMNA
SCHEMBL10658585 0.88 KDM4E (0.58) KDM4EHPGDALDH1A1LMNAHSD17B10
SCHEMBL10658588 0.88 KDM4E (0.58) KDM4EHPGDALDH1A1LMNAHSD17B10

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
US-4762845-A BACTERICIDES ABBOTT LABORATORIES (US) 1988-08-09 US disclosed