SCHEMBL5779846

SCHEMBL5779846

C[C@@H](O)CC1N(C(=O)c2ccc(Cl)cc2)c2ccccc2C12CCNCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
P2RY1 P47900 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
GNRHR P30968 2/20 0.34
KCNH2 Q12809 1/20 0.34
P2RX4 Q99571 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
HTR6 P50406 1/20 0.33
POLB P06746 1/20 0.33
AVPR2 P30518 1/20 0.33

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
SCHEMBL5599866 0.87 CHRM5 (0.35) KMT2AMEN1GNRHRKCNH2
SCHEMBL5783811 0.82 HTT (0.36) TP53
SCHEMBL5592351 0.76 HDAC1 (0.42) KMT2AMEN1HDAC1HDAC6TP53
SCHEMBL5780895 0.73 PSEN1 (0.40) GNRHRKCNH2
SCHEMBL5782188 0.70 MEN1 (0.41) KMT2AMEN1HDAC1HDAC6PTGDR2
SCHEMBL5781993 0.69 TPSAB1 (0.34) KMT2AMEN1TP53SMN1; SMN2
SCHEMBL5599473 0.69 TPSAB1 (0.34) KMT2AMEN1TP53SMN1; SMN2
SCHEMBL5599398 0.69 CHRM1 (0.36) DRD2PTGDR2GNRHRKCNH2
SCHEMBL5784794 0.69 RXFP1 (0.42) KMT2AMEN1TP53DRD2GNRHR
SCHEMBL5599305 0.69 HPGD (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716148-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF Arena Pharmaceuticals, Inc. (US) 2006-11-02 EP claimed
WO-2005063745-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-07-14 WO claimed