SCHEMBL9434738

SCHEMBL9434738

O=CN(Cc1cccnc1)Cc1ccccc1OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A5 Q15758 2/20 0.46
HTR1A P08908 2/20 0.46
DRD2 P14416 2/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
LRRK2 Q5S007 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
SRPK3 Q9UPE1 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
TACR1 P25103 2/20 0.39
GRM2 Q14416 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
PPIA P62937 1/20 0.38
PTPN1 P18031 1/20 0.38

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
SCHEMBL9435408 0.84 SLC1A5 (0.43) SLC1A5HTR1ADRD2MEN1KMT2A
SCHEMBL5793302 0.73 TACR1 (0.46) SLC1A5HTR1ADRD2POLBTACR1
SCHEMBL9006032 0.72 TACR1 (0.54) TACR1
SCHEMBL23673331 0.68 ALDH1A1 (0.53) ALDH1A1POLBKMT2AHTTTACR1
SCHEMBL23683173 0.67 LMNA (0.63) ALDH1A1MEN1KMT2AHTTTACR1
SCHEMBL18002137 0.66 PTPN1 (0.45) ALDH1A1POLBLRRK2GRM2PTPN1
SCHEMBL28034152 0.65 CHRNB2 (0.43) ALDH1A1POLBGPBAR1TACR1
SCHEMBL7382021 0.65 CACNA1H (0.45) POLBMEN1KMT2AGPBAR1
SCHEMBL8501851 0.64 HTR1A (0.57) SLC1A5HTR1ADRD2ALDH1A1POLB
SCHEMBL17551821 0.64 LRRK2 (0.77) LRRK2SRPK3SGMS2

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
WO-1994002461-A1 AZACYCLIC COMPOUNDS MERCK SHARP & DOHME LIMITED (GB) 1994-02-03 WO claimed