SCHEMBL4893867

SCHEMBL4893867

CCCC[N+]12CCC(CC1)CC2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 3/20 0.39
APOBEC3G Q9HC16 3/20 0.39
RGS12 O14924 2/20 0.39
HTT P42858 1/20 0.39
CHRNA7 P36544 2/20 0.38
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
CYP1A2 P05177 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRNA10 Q9GZZ6 1/20 0.30
CHRNA9 Q9UGM1 1/20 0.30

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
SCHEMBL868069 0.91 GNAI3 (0.41) APOBEC3AAPOBEC3GRGS12HTTCHRNA7
SCHEMBL2525998 0.91 GNAI3 (0.41) APOBEC3AAPOBEC3GRGS12HTTCHRNA7
Bromide SCHEMBL2524389 0.89 GNAI3 (0.40) APOBEC3AAPOBEC3GRGS12HTTCHRNA7
Water SCHEMBL2526562 0.89 GNAI3 (0.40) APOBEC3AAPOBEC3GRGS12HTTCHRNA7
SCHEMBL4906320 0.84 CHRNA7 (0.41) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7263081 0.84 CHRNA7 (0.38) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12036494 0.81 CHRNA7 (0.36) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1666073 0.81 CHRNA7 (0.36) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4905037 0.81 TSHR (0.38) APOBEC3AAPOBEC3GRGS12HTT
Water SCHEMBL8053367 0.79 CHRNA7 (0.35) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4

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-110087729-B Bifunctional compound with quaternary ammonium salt structure 北京硕佰医药科技有限责任公司 2022-04-05 CN claimed
CN-110087729-B Bifunctional compound with quaternary ammonium salt structure 北京硕佰医药科技有限责任公司 2022-04-05 CN disclosed
US-20180216107-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2018-08-02 US disclosed
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