SCHEMBL28291346

SCHEMBL28291346

CC(C)(C)N1CCC(Cc2c(F)cc(C#N)cc2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ GPR6 P46095 2/20 0.32
▸ CTSS P25774 2/20 0.32
▸ JAK2 O60674 2/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ CCR3 P51677 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ CHRM4 P08173 2/20 0.31

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
SCHEMBL28291340 0.83 GPR6 (0.45) MEN1GLATSHRKMT2ANPSR1
SCHEMBL20971746 0.79 GPR119 (0.50) —
SCHEMBL20897972 0.78 MGLL (0.45) MEN1KMT2AMGLLCCR3BTK
SCHEMBL20897935 0.76 SLC6A4 (0.42) CHRM2
SCHEMBL28292785 0.76 BTK (0.41) BTK
Hydrochloric Acid SCHEMBL20897936 0.75 SLC6A4 (0.41) CHRM2
SCHEMBL17008795 0.69 GPR6 (0.47) GPR6
SCHEMBL23022739 0.68 ATM (0.51) KMT2AHTR2AMAOAMAOB
SCHEMBL28291353 0.68 MC4R (0.31) —
SCHEMBL15566612 0.68 BRD9 (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 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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