SCHEMBL13759233

SCHEMBL13759233

CCCN(CCC)c1cc(NN=C2CCCC2)nc(OCCN2CCOCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.39
SIGMAR1 Q99720 3/20 0.35
SYK P43405 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.34
MAPK1 P28482 2/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
HTR2A P28223 1/20 0.33
SCN1A P35498 1/20 0.33
HTR2B P41595 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
USP2 O75604 1/20 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
SCHEMBL14413108 0.89 CRHR1 (0.36) CRHR1SIGMAR1SYKSMN1; SMN2GAA
SCHEMBL13759216 0.88 CRHR1 (0.42) CRHR1SIGMAR1SYKSMN1; SMN2ALDH1A1
SCHEMBL14413087 0.87 CRHR1 (0.36) CRHR1SIGMAR1SYKSMN1; SMN2GAA
SCHEMBL14413115 0.84 CRHR1 (0.35) CRHR1SIGMAR1SYKSMN1; SMN2
SCHEMBL14413070 0.83 CRHR1 (0.44) CRHR1SIGMAR1SYKSMN1; SMN2MAPK1
SCHEMBL13759227 0.83 USP2 (0.42) CRHR1SIGMAR1SMN1; SMN2GAAHTR2B
SCHEMBL13759210 0.83 CRHR1 (0.40) CRHR1SIGMAR1SYKSMN1; SMN2ALDH1A1
SCHEMBL13759283 0.83 CRHR1 (0.42) CRHR1SIGMAR1SYKSMN1; SMN2GAA
SCHEMBL14412522 0.82 CRHR1 (0.42) CRHR1SIGMAR1SYKSMN1; SMN2MAPK1
SCHEMBL13759284 0.82 KDM4E (0.43) CRHR1SYKGAAMAPK1ALDH1A1

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
WO-2009100406-A2 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORP. (US) 2009-08-13 WO disclosed
WO-2007100759-A2 METHOD FOR TREATING COMMON VARIABLE IMMUNODEFICIENCY SYNTA PHARMACEUTICALS CORP. (US) 2007-09-07 WO disclosed