SCHEMBL9958722

SCHEMBL9958722

O=C(O)Cc1ccc(-c2ccc(NCCN3CCC(F)(F)CC3)nc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.45
DRD2 P14416 3/20 0.43
ADRA1A P35348 3/20 0.43
DRD3 P35462 3/20 0.43
ACHE P22303 1/20 0.40
KDR P35968 1/20 0.40
FYN P06241 2/20 0.39
ENPP2 Q13822 1/20 0.39
WNT3A P56704 2/20 0.39
ATR Q13535 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
MAP3K11 Q16584 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
ABCC4 O15439 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
PTGS1 P23219 1/20 0.37
HTT P42858 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
Acetic Acid SCHEMBL1256468 0.97 SIGMAR1 (0.43) SIGMAR1DRD2ADRA1ADRD3ACHE
SCHEMBL1256469 0.86 SIGMAR1 (0.41) SIGMAR1DRD2ADRA1ADRD3ACHE
SCHEMBL1257965 0.85 DRD2 (0.43) SIGMAR1DRD2ADRA1ADRD3ACHE
Hydrochloric Acid SCHEMBL1256889 0.81 DRD2 (0.44) SIGMAR1DRD2ADRA1ADRD3ACHE
SCHEMBL1256817 0.79 RET (0.51) KDR
SCHEMBL1256232 0.77 CD274 (0.51) DRD2ADRA1ADRD3ACHEKDR
SCHEMBL14673876 0.77 RET (0.49) KDR
SCHEMBL25379528 0.74 HRH3 (0.45) SIGMAR1DRD2HRH3
SCHEMBL1255230 0.74 SIGMAR1 (0.48) SIGMAR1FYNHRH3LMNATSHR
SCHEMBL1255322 0.73 ABCC4 (0.49) WNT3AABCC4LMNAGAATSHR

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-2467137-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2012-06-27 EP disclosed