SCHEMBL23903141

SCHEMBL23903141

CCCCC(C)N1CC(C)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.32
SIGMAR1 Q99720 2/20 0.31
EBP Q15125 1/20 0.31
OPRM1 P35372 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 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
SCHEMBL18256142 0.86
SCHEMBL14197719 0.84 SIGMAR1 (0.37) SIGMAR1EBPOPRM1MEN1POLB
SCHEMBL27286645 0.80 DPP4 (0.33) DNM1OPRM1
SCHEMBL28122630 0.78
SCHEMBL12125008 0.77 HRH4 (0.31) HRH3
SCHEMBL24114952 0.77 HRH3 (0.44) DNM1SIGMAR1ALDH1A1HRH3MEN1
SCHEMBL12125007 0.77 HRH4 (0.31) HRH3
SCHEMBL4556064 0.77 HRH3 (0.44) DNM1SIGMAR1ALDH1A1HRH3MEN1
SCHEMBL23555204 0.77 CHRNB2 (0.39) SIGMAR1
SCHEMBL21451663 0.77 OPRM1 (0.32) OPRM1ALDH1A1

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
WO-2021197250-A1 NOVEL COMPOUND AS REARRANGED DURING TRANSFECTION KINASE INHIBITOR 南京天印健华医药科技有限公司 2021-10-07 WO disclosed