SCHEMBL8501828

SCHEMBL8501828

CC(C)(CCN)CN1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CXCR4 P61073 2/20 0.31
RAD52 P43351 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31

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
SCHEMBL19466429 0.85 CYP2D6 (0.38) SIGMAR1ALDH1A1HTTCHRM5CHRM3
SCHEMBL20333626 0.81 SIGMAR1 (0.36) SIGMAR1ALDH1A1HTTCHRM5CHRM3
SCHEMBL24420661 0.80 SIGMAR1 (0.33) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL14614393 0.78 SIGMAR1 (0.37) SIGMAR1ALDH1A1HTTCHRM5CHRM3
SCHEMBL19261719 0.78 SIGMAR1 (0.39) SIGMAR1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL5858718 0.77 SIGMAR1 (0.40) SIGMAR1ALDH1A1HTTCHRM5CHRM3
SCHEMBL5858713 0.77 SIGMAR1 (0.40) SIGMAR1ALDH1A1HTTCHRM5CHRM3
SCHEMBL3919857 0.76 SIGMAR1 (0.38) SIGMAR1ALDH1A1HTTCHRM5CHRM3
SCHEMBL1104721 0.75 SIGMAR1 (0.44) SIGMAR1ALDH1A1HTTCHRM5CHRM3
SCHEMBL22430288 0.75 GNAO1 (0.43) SIGMAR1CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0558048-B1 Thermoplastic resin composition IDEMITSU PETROCHEMICAL CO (JP) 1999-07-07 EP disclosed
EP-0558047-B1 Copolymer having amino group and process for production thereof DAI ICHI KOGYO SEIYAKU CO LTD (JP) 1998-05-20 EP disclosed
US-5552480-A BLEND, IMIDIZED ADDITION POLYMER, ENGINEERING PLASTIC, IMPACT STRENGTH IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1996-09-03 US disclosed
EP-0558047-A2 Copolymer having amino group and process for production thereof DAI-ICHI KOGYO SEIYAKU Co., Ltd. (JP) 1993-09-01 EP disclosed
EP-0558048-A1 Thermoplastic resin composition IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) 1993-09-01 EP disclosed