SCHEMBL10939739

SCHEMBL10939739

CCC(N)NC(C)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 3/20 0.44
CYP3A4 P08684 2/20 0.44
ADRA2A P08913 2/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
SMPD1 P17405 1/20 0.44
DRD1 P21728 1/20 0.44
TBXA2R P21731 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
CASR P41180 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL10939302 0.89 SIGMAR1 (0.46) SIGMAR1MEN1KMT2ALMNACYP3A4
SCHEMBL7089777 0.82 LMNA (0.43) LMNAADRA2AAOC3TAAR1ADRA2C
SCHEMBL9768694 0.79 SIGMAR1 (0.55) SIGMAR1MEN1KMT2ALMNACYP3A4
SCHEMBL28552787 0.79 SIGMAR1 (0.55) SIGMAR1MEN1KMT2ALMNACYP3A4
SCHEMBL172344 0.79 SIGMAR1 (0.66) SIGMAR1MEN1KMT2ALMNACYP3A4
SCHEMBL19954149 0.79 SIGMAR1 (0.60) SIGMAR1MEN1KMT2ALMNACYP3A4
SCHEMBL28552790 0.79 SIGMAR1 (0.55) SIGMAR1MEN1KMT2ALMNACYP3A4
SCHEMBL27704414 0.79 SIGMAR1 (0.53) SIGMAR1MEN1KMT2ALMNACYP3A4
SCHEMBL8437895 0.78 SIGMAR1 (0.61) SIGMAR1MEN1KMT2ALMNACYP3A4
SCHEMBL283979 0.78 SIGMAR1 (0.61) SIGMAR1MEN1KMT2ALMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101045759-B Styrene or substituted styrene polymer type quaternary ammonium salt antistat or bacterial agent and preparation method thereof DINGLAN GREEN CHEMICAL INST CO LTD CHANGZHOU 2011-06-01 CN claimed
CN-101045759-A Styrene or substituted styrene polymer type quaternary ammonium salt antistat or bacterial agent and preparation method thereof DINGLAN GREEN CHEMICAL INST CO (CN) 2007-10-03 CN claimed
CN-101045759-B Styrene or substituted styrene polymer type quaternary ammonium salt antistat or bacterial agent and preparation method thereof DINGLAN GREEN CHEMICAL INST CO LTD CHANGZHOU 2011-06-01 CN disclosed
CN-101045759-A Styrene or substituted styrene polymer type quaternary ammonium salt antistat or bacterial agent and preparation method thereof DINGLAN GREEN CHEMICAL INST CO (CN) 2007-10-03 CN disclosed
US-4500452-A NOT SUBJECT TO ENZYME DEACTIVATION NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1985-02-19 US disclosed
US-4472304-A CARCINOSTATIC NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1984-09-18 US disclosed