SCHEMBL9627368

SCHEMBL9627368

O=C1CCCc2cc(Cl)ccc2N1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.53
PDE4D Q08499 1/20 0.53
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
HPGD P15428 1/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B3 P37058 1/20 0.42
MAPT P10636 1/20 0.41
NOTUM Q6P988 2/20 0.40
AVPR2 P30518 1/20 0.40

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
SCHEMBL16110543 0.83 OPRK1 (0.65) OPRK1PDE4DKMT2AMEN1HPGD
SCHEMBL9627340 0.81 HPGD (0.66) KMT2AMEN1HPGDLMNAALDH1A1
SCHEMBL30293257 0.76 HPGD (0.50) OPRK1PDE4DKMT2AMEN1HPGD
SCHEMBL718072 0.75 KMT2A (0.63) KMT2AMEN1HPGDLMNAALDH1A1
SCHEMBL11431631 0.74 OPRK1 (0.65) OPRK1PDE4DKMT2AMEN1HPGD
SCHEMBL11436899 0.74 OPRK1 (0.61) OPRK1PDE4DKMT2AMEN1HPGD
SCHEMBL11433565 0.74 OPRK1 (0.51) OPRK1PDE4DKMT2AMEN1HPGD
SCHEMBL6140528 0.74 KMT2A (0.62) KMT2AMEN1LMNAALDH1A1CYP1A2
SCHEMBL10398760 0.74 OPRK1 (0.65) OPRK1PDE4DKMT2AMEN1HPGD
SCHEMBL1184701 0.73 KMT2A (0.56) OPRK1PDE4DKMT2AMEN1HPGD

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-5098901-A Cardiovascular disorders STERLING DRUG INC. (US) 1992-03-24 US disclosed