SCHEMBL7835889

SCHEMBL7835889

Fc1ccc([N]CCc2ccccc2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
HTR2A P28223 2/20 0.40
HTR2C P28335 1/20 0.40
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
C3AR1 Q16581 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
CYP2A6 P11509 2/20 0.38
TRPA1 O75762 1/20 0.38
CYP2E1 P05181 1/20 0.38
MIF P14174 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP2A13 Q16696 1/20 0.38
EPAS1 Q99814 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL2376781 0.76 ALDH1A1 (0.45) RAB9APOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL16191048 0.67 HTR2A (0.51) RAB9APOLBHTR2AHTR2CALDH1A1
SCHEMBL12040567 0.67 HTR2A (0.55) RAB9APOLBHTR2AHTR2CMEN1
SCHEMBL3466033 0.66 HIF1A (0.50) HTR2AALDH1A1SMN1; SMN2LMNATAAR1
SCHEMBL654154 0.66 TAAR1 (0.56) RAB9AALDH1A1LMNATAAR1PLAAT3
SCHEMBL7835892 0.66 RAB9A (0.57) RAB9APOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL8591746 0.65 TAAR1 (0.65) ALDH1A1LMNATAAR1
SCHEMBL3362041 0.64 ALOX5 (0.50) RAB9APOLBHTR2AHTR2CSMN1; SMN2
SCHEMBL9340736 0.64 CA12 (0.62) RAB9APOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL9340734 0.64 CA12 (0.62) RAB9APOLBALDH1A1SMN1; SMN2MEN1

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
EP-0582789-B1 Novel 7-(substituted)-8-(substituted)-9-(substituted glycyl)amido-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID CO (US) 2001-10-04 EP claimed
EP-0582789-B1 Novel 7-(substituted)-8-(substituted)-9-(substituted glycyl)amido-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID CO (US) 2001-10-04 EP disclosed