SCHEMBL10658987

SCHEMBL10658987

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCC(N=Cc4ccccc4)C3)cc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.60
LMNA P02545 4/20 0.60
POLB P06746 3/20 0.60
TAAR1 Q96RJ0 1/20 0.60
DRD3 P35462 1/20 0.59
KDM4E B2RXH2 7/20 0.58
HTT P42858 5/20 0.58
ALDH1A1 P00352 4/20 0.58
HSD17B10 Q99714 3/20 0.58
TSHR P16473 2/20 0.58
BRD4 O60885 1/20 0.58
CYP2J2 P51589 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
USP2 O75604 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TOP1 P11387 3/20 0.55
NPC1 O15118 1/20 0.55
MAPT P10636 2/20 0.54

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
SCHEMBL10660043 1.00 HPGD (0.60) HPGDLMNAPOLBTAAR1DRD3
SCHEMBL10657143 0.94 DRD3 (0.58) HPGDLMNAPOLBTAAR1DRD3
SCHEMBL10657129 0.94 DRD3 (0.58) HPGDLMNAPOLBTAAR1DRD3
SCHEMBL10657125 0.94 DRD3 (0.58) HPGDLMNAPOLBTAAR1DRD3
SCHEMBL10657240 0.94 DRD3 (0.57) HPGDLMNAPOLBTAAR1DRD3
SCHEMBL10657231 0.94 DRD3 (0.57) HPGDLMNAPOLBTAAR1DRD3
SCHEMBL10657249 0.94 DRD3 (0.57) HPGDLMNAPOLBTAAR1DRD3
SCHEMBL10660047 0.90 DRD3 (0.53) HPGDLMNAPOLBTAAR1DRD3
SCHEMBL8132965 0.86 DRD3 (0.61) HPGDLMNADRD3KDM4EHTT
SCHEMBL10658827 0.86 KDM4E (0.60) HPGDLMNAKDM4EHTTALDH1A1

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