SCHEMBL9801515

SCHEMBL9801515

CCCN1CCN(C)C(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.34
SIGMAR1 Q99720 2/20 0.34
DRD4 P21917 2/20 0.30
DRD3 P35462 2/20 0.30
DRD1 P21728 1/20 0.30
HTR2A P28223 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
SCHEMBL9801622 0.84 TSHR (0.33)
SCHEMBL9801597 0.80 HTR1A (0.36) DRD2SIGMAR1HTR2A
SCHEMBL9801148 0.80 ALDH1A1 (0.39)
SCHEMBL9802015 0.80 ALOX15 (0.50) SIGMAR1
SCHEMBL7902209 0.78 HTR1A (0.33) DRD2SIGMAR1HTR2A
SCHEMBL9801943 0.77 KEAP1 (0.41) SIGMAR1
SCHEMBL15318699 0.77 HSD11B1 (0.37)
SCHEMBL9801159 0.77 TSHR (0.33)
SCHEMBL20003030 0.73
SCHEMBL15316721 0.72 KDM1A (0.32)

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
WO-2017106607-A1 POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS MERCK PATENT GMBH (DE) 2017-06-22 WO disclosed
US-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US disclosed