SCHEMBL4355291

SCHEMBL4355291

CC(I)(Nc1ncnc2c1CNCC2)c1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
HTR2C P28335 5/20 0.33
HTR2B P41595 5/20 0.33
HTR2A P28223 4/20 0.33
P2RX3 P56373 2/20 0.32
MAPT P10636 1/20 0.32
SSTR4 P31391 1/20 0.31
ADRB2 P07550 1/20 0.30
HTR1B P28222 1/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL2857789 0.81 P2RX3 (0.36) TRPV1P2RX3
SCHEMBL997142 0.75 P2RX3 (0.56) P2RX3
SCHEMBL997141 0.75 P2RX3 (0.56) P2RX3
SCHEMBL8251107 0.74 TRPV1 (0.52) TRPV1
SCHEMBL4348289 0.73 P2RX3 (0.64) P2RX3
SCHEMBL4339725 0.72 TTBK1 (0.51) HTR2CHTR2B
SCHEMBL2846226 0.69 TRPV1 (0.57) TRPV1
SCHEMBL16510169 0.68 HTR2B (0.42) HTR2CHTR2BHTR2AP2RX3
SCHEMBL2847843 0.67 TRPV1 (0.40) TRPV1HTR2CHTR2BHTR2A
SCHEMBL29186336 0.67 PNMT (0.41) SOS1HTR2CHTR2BHTR2AMAPT

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