SCHEMBL6965813

SCHEMBL6965813

CC(C)(CN)c1c(F)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.47
GAA P10253 2/20 0.37
BACE1 P56817 1/20 0.36
PNMT P11086 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL8233490 0.86 TAAR1 (0.46) TAAR1PNMTLMNAHTR2CHTR2B
Hydrochloric Acid SCHEMBL4493567 0.84 TAAR1 (0.45) TAAR1PNMTNPSR1LMNAHTR2C
SCHEMBL18494712 0.83 TAAR1 (0.40) TAAR1GAABACE1SMN1; SMN2MAPT
SCHEMBL30728872 0.79 TAAR1 (0.42) TAAR1GAABACE1SMN1; SMN2MAPT
SCHEMBL17972850 0.79 TAAR1 (0.42) TAAR1GAABACE1SMN1; SMN2MAPT
SCHEMBL802985 0.78 GAA (0.41) TAAR1GAABACE1SMN1; SMN2MAPT
SCHEMBL21631949 0.77 PTGFR (0.43) TAAR1GAASMN1; SMN2MAPTRAB9A
SCHEMBL21718832 0.75 TAAR1 (0.38) TAAR1GAABACE1SMN1; SMN2MAPT
SCHEMBL8489151 0.75 GAA (0.40) TAAR1GAABACE1SMN1; SMN2MAPT
SCHEMBL21656361 0.73 SMN1; SMN2 (0.38) TAAR1GAASMN1; SMN2MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540143-B1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2003-02-05 EP disclosed
US-5714503-A Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 1998-02-03 US disclosed
US-5658907-A THIOUREA VIRICIDES MEDIVIR A/B (SE) 1997-08-19 US disclosed
US-5593993-A VIRICIDES FOR HTLV TREATMENT OF AIDS MEDIVIR AB (SE) 1997-01-14 US disclosed
EP-0540143-A2 Compounds and methods for inhibition of HIV and related viruses Medivir Aktiebolag (SE) 1993-05-05 EP disclosed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 WO disclosed