SCHEMBL28291340

SCHEMBL28291340

CC(C)(C)N1CCC(Cc2ccc(C#N)cc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR6 P46095 6/20 0.45
▸ CHRM4 P08173 1/20 0.39
▸ CCR3 P51677 3/20 0.39
▸ HTR2A P28223 3/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ JAK2 O60674 2/20 0.37
▸ JAK1 P23458 2/20 0.37
▸ TYK2 P29597 2/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ CTSC P53634 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ FPR2 P25090 2/20 0.35
▸ PROKR1 Q8TCW9 2/20 0.35
▸ NR3C1 P04150 1/20 0.35

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
SCHEMBL28291346 0.83 MEN1 (0.33) GPR6CHRM4CCR3HTR2AHTR2C
SCHEMBL20971822 0.79 GPR119 (0.54) GPR6
SCHEMBL25145660 0.78 SLC6A4 (0.49) GPR6KCNH2
SCHEMBL23022739 0.76 ATM (0.51) HTR2AKMT2A
SCHEMBL17008795 0.74 GPR6 (0.47) GPR6
SCHEMBL26144501 0.74 GPR6 (0.54) GPR6HTR2AHTR2CKCNH2
SCHEMBL26144303 0.73 GPR6 (0.56) GPR6CCR3HTR2AHTR2CKCNH2
SCHEMBL26143918 0.72 GPR6 (0.54) GPR6CCR3HTR2AHTR2CKCNH2
SCHEMBL25133038 0.71 SLC6A9 (0.47) KCNH2
SCHEMBL20524624 0.70 GPR6 (0.59) GPR6KCNH2

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
CN-109661392-A For treating the mitochondrial inhibitors of proliferative disorder 巴斯利尔药物国际股份公司 2019-04-19 — — CN disclosed
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