SCHEMBL4907271

SCHEMBL4907271

c1ccc([N+]2(c3ccccc3)CCNCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 1/20 0.40
ORAI2 Q96SN7 1/20 0.40
ORAI3 Q9BRQ5 1/20 0.40
TRPV6 Q9H1D0 1/20 0.40
SIGMAR1 Q99720 5/20 0.39
GBA1 P04062 1/20 0.39
HTR2C P28335 1/20 0.39
OPRM1 P35372 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
SLC18A3 Q16572 1/20 0.38
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HRH1 P35367 1/20 0.34
KDM1A O60341 4/20 0.33
MAOB P27338 3/20 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
SCHEMBL811571 0.86 ORAI1 (0.34) ORAI1ORAI2ORAI3TRPV6SIGMAR1
SCHEMBL4893829 0.81 CYP1A2 (0.35) SIGMAR1MEN1KMT2AALDH1A1CYP2C9
SCHEMBL15282149 0.81 CYP1A2 (0.35) SIGMAR1MEN1KMT2AALDH1A1CYP2C9
SCHEMBL9699016 0.76 ORAI1 (0.38) ORAI1ORAI2ORAI3TRPV6SIGMAR1
SCHEMBL5392162 0.76 ORAI1 (0.38) ORAI1ORAI2ORAI3TRPV6SIGMAR1
SCHEMBL28147221 0.76 ORAI1 (0.38) ORAI1ORAI2ORAI3TRPV6SIGMAR1
SCHEMBL7453435 0.76
SCHEMBL9538584 0.76 CHRNA7 (0.35) ORAI1ORAI2ORAI3TRPV6SIGMAR1
SCHEMBL4899672 0.76 LMNA (0.39) KMT2AALDH1A1CYP2C9TSHR
SCHEMBL1616696 0.74 PABPC1 (0.38) SIGMAR1KMT2ASLC6A2SLC6A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1867667-B1 Method for manufacturing stabilized polyacetal resin POLYPLASTICS CO (JP) 2012-10-31 EP disclosed
US-20080271381-A1 Method for manufacturing stabilized polyacetal resin, stabilized polyacetal resin, stabilized polyacetal resin composition, and molded article of stabilized polyacetal resin POLYPLASTICS CO., LTD (JP) 2008-11-06 US disclosed
EP-1867667-A1 Method for manufacturing stabilized polyacetal resin, stabilized polyacetal resin, stabilized polyacetal resin composition, and molded article of stabilized polyacetal resin Polyplastics Co., Ltd. (JP) 2007-12-19 EP disclosed