SCHEMBL9656604

SCHEMBL9656604

Cc1ccccc1N(C)CCCC=Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PAM P19021 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NR1I2 O75469 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2C P18825 1/20 0.37
CNR1 P21554 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRK1 P41145 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
EBP Q15125 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL11866070 0.81 RELA (0.43) SIGMAR1MEN1KMT2ANR1I2DRD2
SCHEMBL1058150 0.79 SIGMAR1 (0.46) SIGMAR1MEN1KMT2ANR1I2DRD2
SCHEMBL10873603 0.77 HTR2A (0.39) SIGMAR1MEN1KMT2AALDH1A1NR1I2
SCHEMBL33528489 0.74 SIGMAR1 (0.47) SIGMAR1MEN1KMT2ANR1I2DRD2
SCHEMBL5430493 0.73 ALDH1A1 (0.50) MEN1KMT2AALDH1A1KCNH2LMNA
SCHEMBL11246056 0.73 RELA (0.42) SIGMAR1MEN1KMT2APAMALDH1A1
SCHEMBL5417326 0.72 SMN1; SMN2 (0.41) SIGMAR1ALDH1A1DRD2ADRA2CCNR1
SCHEMBL9063828 0.72 SIGMAR1 (0.41) SIGMAR1MEN1KMT2ANR1I2DRD2
SCHEMBL3240089 0.72 IDO1 (0.52) SIGMAR1PAMHTR2A
SCHEMBL12301181 0.72 ALDH1A1 (0.56) SIGMAR1ALDH1A1KCNH2LMNA

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
US-5151333-A Containing imine derivative NIPPON ZEON CO., LTD (JP) 1992-09-29 US disclosed