SCHEMBL2904033

SCHEMBL2904033

O=C(C=CN1CCN(CCc2ccccc2)CC1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.54
ABCB1 P08183 2/20 0.49
ABCG2 Q9UNQ0 2/20 0.49
HTR2A P28223 2/20 0.46
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
KCNH2 Q12809 2/20 0.45
KCNJ1 P48048 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL4384007 0.86 ALDH1A1 (0.46) SIGMAR1ABCB1ABCG2HTTMEN1
SCHEMBL2908554 0.81 KMT2A (0.48) SIGMAR1HTR2AKCNH2MEN1KMT2A
SCHEMBL2903285 0.81 LMNA (0.50) SIGMAR1HTTMEN1KMT2APOLB
SCHEMBL2910357 0.80 SMN1; SMN2 (0.52) HTTMEN1KMT2APOLB
SCHEMBL2908214 0.80 ALDH1A1 (0.47) HTT
SCHEMBL2908712 0.80 ALDH1A1 (0.50) HTTMEN1KMT2APOLB
SCHEMBL2902110 0.78 HTT (0.43) HTTKMT2APOLB
SCHEMBL2905409 0.78 MEN1 (0.61) HTTMEN1KMT2APOLB
SCHEMBL2906383 0.78 MAPT (0.53) DRD2HTTMEN1KMT2APOLB
SCHEMBL2903473 0.78 HTT (0.49) SIGMAR1HTTMEN1KMT2APOLB

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
EP-2041104-B1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR- I ANTAGONISTS PF MEDICAMENT (FR) 2010-08-18 EP disclosed