SCHEMBL7782665

SCHEMBL7782665

c1ccc(C[N+]2(Cc3ccccc3)CCNC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.37
HIF1A Q16665 2/20 0.37
GBA1 P04062 1/20 0.37
HTR2A P28223 1/20 0.34
CYP2D6 P10635 1/20 0.33
CALM1 P0DP23 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
ORAI1 Q96D31 1/20 0.32
ORAI2 Q96SN7 1/20 0.32
ORAI3 Q9BRQ5 1/20 0.32
TRPV6 Q9H1D0 1/20 0.32

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
SCHEMBL3375191 0.89 CHRNA7 (0.39) SIGMAR1HIF1AGBA1HTR2ACYP2D6
SCHEMBL16168595 0.81 CHRNA7 (0.41) SIGMAR1HIF1AGBA1CYP2D6SLC6A2
SCHEMBL10860816 0.78 SIGMAR1 (0.37) SIGMAR1HIF1AGBA1CYP2D6SLC6A2
SCHEMBL6688133 0.77 SIGMAR1 (0.39) SIGMAR1HIF1AGBA1HTR2ASLC6A2
SCHEMBL1017459 0.75 HIF1A (0.46) SIGMAR1HIF1AHTR2ACYP2D6CALM1
SCHEMBL4054436 0.74 GBA1 (0.34) SIGMAR1GBA1SLC6A2SLC6A4
SCHEMBL6440687 0.73 HIF1A (0.47) SIGMAR1HIF1AGBA1CHRNB2CHRNA4
SCHEMBL7833641 0.72 CHRM3 (0.43) SIGMAR1HIF1AGBA1CHRNB2CHRNA4
SCHEMBL6926932 0.72 SIGMAR1 (0.46) SIGMAR1HIF1AGBA1CYP2D6SLC6A2
SCHEMBL3686301 0.72 LMNA (0.44) SIGMAR1HIF1ACYP2D6CALM1CHRNB2

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
EP-1141044-A1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, CATALYST FOR OLEFIN POLYMERIZATION AND PROCESS FOR PRODUCING OLEFIN POLYMER Basell Technology Company B.V. (NL) 2001-10-10 EP disclosed
WO-2001036496-A1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION, CATALYST FOR OLEFIN POLYMERIZATION AND PROCESS FOR PRODUCING OLEFIN POLYMER BASELL TECHNOLOGY COMPANY B.V. (NL) 2001-05-25 WO disclosed