SCHEMBL825873

SCHEMBL825873

CCNc1ccc(C(c2ccc(N)cc2)c2ccc(NCC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.43
ADRA2B P18089 3/20 0.43
ADRA2C P18825 3/20 0.43
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
APP P05067 1/20 0.36
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
NR4A1 P22736 1/20 0.34
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 2/20 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
SCHEMBL2492871 0.89 MAPT (0.47) ADRA2AADRA2BADRA2CMAPTLMNA
SCHEMBL146408 0.87 ADRA2A (0.52) ADRA2AADRA2BADRA2CMAPTLMNA
Hydrochloric Acid SCHEMBL9161665 0.85 ADRA2A (0.50) ADRA2AADRA2BADRA2CMAPTLMNA
Ammonia Solution, Strong SCHEMBL11136136 0.85 ADRA2A (0.50) ADRA2AADRA2BADRA2CMAPTLMNA
SCHEMBL9322409 0.82 LMNA (0.53) ADRA2AADRA2BADRA2CMAPTLMNA
SCHEMBL7011411 0.81 CYP3A4 (0.50) ADRA2AADRA2BADRA2CMAPTLMNA
SCHEMBL9013552 0.81 MAPT (0.54) ADRA2AADRA2BADRA2CMAPTLMNA
SCHEMBL1800842 0.79 MAPT (0.45) ADRA2AADRA2BADRA2CMAPTLMNA
Oxirane SCHEMBL27491261 0.78 ADRA2A (0.44) ADRA2AADRA2BADRA2CMAPTLMNA
SCHEMBL11223017 0.77 ADRA2A (0.47) ADRA2AADRA2BADRA2CMAPTLMNA

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-2012003478-A2 DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY VENTANA MEDICAL SYSTEMS, INC. (US) 2012-01-05 WO disclosed