SCHEMBL10033174

SCHEMBL10033174

COC(=O)C[C@H]1CCC[C@@H](N(Cc2ccccc2)Cc2ccccc2)[C@@H]1c1cnc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.41
SLC6A4 P31645 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 3/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TRPV1 Q8NER1 3/20 0.36
FAAH O00519 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
TACR1 P25103 1/20 0.34
TACR3 P29371 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL10033000 0.83 KDM1A (0.44) CFTRSLC6A4SMN1; SMN2RAB9AKMT2A
SCHEMBL1709467 0.73 TACR1 (0.41) SLC6A4KMT2AMEN1TACR1
SCHEMBL10032999 0.71 SCN9A (0.43)
SCHEMBL10033002 0.67 SLC6A2 (0.37) SLC6A4ALDH1A1KDM4ETACR1POLB
SCHEMBL10033123 0.66 PSEN1 (0.41) TACR1TRPM8
SCHEMBL9166296 0.66 POLB (0.40) TACR1POLB
SCHEMBL1709505 0.65 HDAC4 (0.40) SLC6A4KMT2AMEN1ALDH1A1TACR1
SCHEMBL1709388 0.64 MAOA (0.45) TACR1
SCHEMBL6239112 0.64 KDM4E (0.55) SMN1; SMN2RAB9AKMT2ANPC1MEN1
SCHEMBL10033003 0.64 EPHX2 (0.45) SMN1; SMN2RAB9AKMT2ANPC1ALDH1A1

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-2012046771-A1 CYCLOALKANE COMPOUND アステラス製薬株式会社 (JP) 2012-04-12 WO disclosed