SCHEMBL4339725

SCHEMBL4339725

Clc1ccc(CCNc2ncnc3c2CNCC3)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 2/20 0.51
TTBK2 Q6IQ55 2/20 0.51
HTT P42858 4/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NR2F2 P24468 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.41
GALR3 O60755 1/20 0.41
THRB P10828 1/20 0.41
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
HTR2C P28335 3/20 0.38
HTR2B P41595 3/20 0.38
CETP P11597 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
SCHEMBL2862215 0.80 P2RX3 (0.45) CNR1CNR2
SCHEMBL16510169 0.74 HTR2B (0.42) HTR2CHTR2B
SCHEMBL997141 0.73 P2RX3 (0.56) CNR1CNR2
SCHEMBL997142 0.73 P2RX3 (0.56) CNR1CNR2
SCHEMBL4340084 0.73 CLPP (0.50) TTBK1TTBK2HTTLMNAMEN1
SCHEMBL4355291 0.72 SOS1 (0.34) HTR2CHTR2B
SCHEMBL4346635 0.72 P2RX3 (0.63)
SCHEMBL3114971 0.71 MAPK1 (0.54) HTTLMNATSHRSMN1; SMN2RAB9A
SCHEMBL2866604 0.70 P2RX3 (0.55) CNR1CNR2
SCHEMBL2862858 0.70 P2RX3 (0.53)

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-2136639-A1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2009-12-30 EP disclosed
WO-2008123963-A1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2008-10-16 WO disclosed