SCHEMBL18924894

SCHEMBL18924894

CN1C2CCCC1CN(Nc1ccccc1OC(F)(F)F)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ UBE2M P61081 1/20 0.37
▸ DCUN1D1 Q96GG9 1/20 0.37
▸ WNT3A P56704 1/20 0.36

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
SCHEMBL6886595 0.80 HTR3A (0.60) DDB1CRBNHTR3EHTR3BCHRM4
SCHEMBL30900415 0.75 HCN1 (0.42) DDB1CRBNWNT3AGBA1GAA
SCHEMBL30900388 0.72 CHRM3 (0.36) DDB1CRBNUBE2MDCUN1D1WNT3A
SCHEMBL20047657 0.68 GAA (0.45) DDB1CRBNUBE2MDCUN1D1GBA1
SCHEMBL5645988 0.65 GAA (0.49) DDB1CRBNGAAEPHX2
SCHEMBL3192934 0.65 EPHX2 (0.57) DDB1CRBNGBA1GAAEPHX2
SCHEMBL30997648 0.65 SLC6A2 (0.42) HTR3EHTR3BCHRM4CHRM5HRH1
SCHEMBL5531640 0.63 ABCC1 (0.59) GAA
SCHEMBL20043263 0.63 GAA (0.46) DDB1CRBNGBA1GAAEPHX2
SCHEMBL5537284 0.62 ABCC1 (0.60) UBE2MDCUN1D1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670198-B2 Nicotinic acetylcholine receptor modulators ASTRAEA THERAPEUTICS, LLC (US) 2017-06-06 — — US disclosed
Send feedback