SCHEMBL2820000

SCHEMBL2820000

COc1cnc(-c2ccccn2)nc1Nc1ccc(N2CCC(C)CC2)cn1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 11/20 0.55
SMN1; SMN2 Q16637 5/20 0.51
L3MBTL1 Q9Y468 5/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 3/20 0.51
MITF O75030 1/20 0.51
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
CTSC P53634 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
PPP1CA P62136 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
Hydrochloric Acid SCHEMBL2827759 0.99 TRPM8 (0.54) TRPM8SMN1; SMN2L3MBTL1MAPTLMNA
SCHEMBL2820211 0.91 TRPM8 (0.56) TRPM8SMN1; SMN2L3MBTL1MAPTLMNA
Hydrochloric Acid SCHEMBL2821111 0.90 TRPM8 (0.55) TRPM8SMN1; SMN2L3MBTL1MAPTLMNA
SCHEMBL2819239 0.89 CTSC (0.54) TRPM8SMN1; SMN2L3MBTL1MAPTLMNA
Hydrochloric Acid SCHEMBL2827762 0.89 CTSC (0.53) TRPM8SMN1; SMN2L3MBTL1MAPTLMNA
SCHEMBL2824172 0.80 TRPM8 (0.51) TRPM8SMN1; SMN2L3MBTL1MAPTLMNA
SCHEMBL2822086 0.80 TRPM8 (0.62) TRPM8SMN1; SMN2L3MBTL1MAPTLMNA
SCHEMBL2820941 0.80 TRPM8 (0.68) TRPM8SMN1; SMN2L3MBTL1MAPTLMNA
Hydrochloric Acid SCHEMBL2824138 0.80 TRPM8 (0.50) TRPM8SMN1; SMN2L3MBTL1MAPTLMNA
SCHEMBL2821539 0.78 TRPM8 (0.60) TRPM8SMN1; SMN2L3MBTL1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742634-B1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN INC (US) 2010-10-27 EP claimed
US-7560464-B2 Polycyclic pyrimidines as potassium ion channel modulators ICAGEN, INC. (US) 2009-07-14 US claimed
EP-1742634-B1 POLYCYCLIC PYRIMIDINES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN INC (US) 2010-10-27 EP disclosed