SCHEMBL9684198

SCHEMBL9684198

COC(=O)C1CN(c2cccc(C)c2C)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 7/20 0.49
MAPT P10636 6/20 0.49
MEN1 O00255 6/20 0.49
TSHR P16473 4/20 0.49
NPSR1 Q6W5P4 3/20 0.49
LMNA P02545 5/20 0.47
RAB9A P51151 2/20 0.46
MAPK1 P28482 2/20 0.45
ADRB1 P08588 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.44
GFER P55789 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL3436353 0.88 ALDH1A1 (0.48) ALDH1A1KMT2AMAPTMEN1TSHR
SCHEMBL18580808 0.85 JAK2 (0.38) ALDH1A1KMT2AMAPTMEN1TSHR
SCHEMBL3435988 0.77 MEN1 (0.45) ALDH1A1KMT2AMAPTMEN1NPSR1
SCHEMBL29138516 0.77 DRD2 (0.49) ALDH1A1MAPTTSHRLMNAADRB1
SCHEMBL1500721 0.75 ADRB1 (0.53) ALDH1A1KMT2AMAPTMEN1TSHR
SCHEMBL12728148 0.73 AKR1C3 (0.42) ALDH1A1KMT2AMAPTMEN1TSHR
SCHEMBL25983414 0.73 NOTUM (0.59) ALDH1A1KMT2AMAPTMEN1ADRB1
SCHEMBL3435051 0.72 MAPT (0.54) ALDH1A1KMT2AMAPTMEN1NPSR1
SCHEMBL30755129 0.72 PTGES (0.50) KMT2AMEN1SMN1; SMN2
SCHEMBL25603132 0.72 NOTUM (0.53) ALDH1A1KMT2AMAPTMEN1TSHR

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-5130309-A Cardiovascular disorders A. H. ROBINS COMPANY, INCORPORATED (US) 1992-07-14 US disclosed