SCHEMBL2707429

SCHEMBL2707429

CCC(c1ccccc1)(c1ccccc1)N1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.58
CYP2D6 P10635 4/20 0.42
CHRM2 P08172 3/20 0.42
CHRM1 P11229 3/20 0.42
HTR1A P08908 2/20 0.42
OPRM1 P35372 2/20 0.42
KCNH2 Q12809 2/20 0.42
LMNA P02545 2/20 0.42
CHRM3 P20309 3/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
KDM4E B2RXH2 2/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
SCN3A Q9NY46 1/20 0.40

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
SCHEMBL67163 0.85 CYP2B6 (0.55) CYP2B6CYP2D6CHRM2CHRM1HTR1A
SCHEMBL5305394 0.82 CYP2B6 (0.55) CYP2B6CYP2D6CHRM2CHRM1HTR1A
SCHEMBL8818968 0.81 CHRM2 (0.43) CYP2B6CHRM2CHRM1LMNACHRM3
SCHEMBL11542596 0.81 CYP2B6 (0.53) CYP2B6CYP2D6CHRM2CHRM1HTR1A
SCHEMBL5051404 0.78 CYP2B6 (0.50) CYP2B6CYP2D6CHRM2CHRM1HTR1A
SCHEMBL5290364 0.78 CYP2B6 (0.50) CYP2B6CYP2D6CHRM2CHRM1HTR1A
SCHEMBL7547849 0.78 CYP2B6 (0.55) CYP2B6CYP2D6CHRM2CHRM1HTR1A
SCHEMBL8634062 0.77 NPC1 (0.37) CYP2B6CYP2D6CHRM1CHRM3KDM4E
SCHEMBL5302731 0.77 CYP2B6 (0.58) CYP2B6CYP2D6CHRM2CHRM1HTR1A
SCHEMBL597167 0.76 CYP2B6 (0.52) CYP2B6CYP2D6CHRM2CHRM1HTR1A

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
CN-108289697-B Scoring balloon with translating score line 巴德股份有限公司 2023-02-28 CN disclosed
CN-114795402-A Scoring balloon with translating score line 巴德股份有限公司 2022-07-29 CN disclosed
EP-2125038-B1 RADIOACTIVE PET AGENTS FOR IMAGING CCR5 IN VIVO GE HEALTHCARE LTD (GB) 2012-05-02 EP disclosed
EP-2125038-A2 RADIOACTIVE PET AGENTS FOR IMAGING CCR5 IN VIVO GE Healthcare Limited (GB) 2009-12-02 EP disclosed
WO-2008075040-A2 IN VIVO IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2008-06-26 WO disclosed