SCHEMBL8003684

SCHEMBL8003684

CS(=O)(=O)Oc1ccc2cccc(NC(=O)CNCCC3=CN(C(c4ccccc4)(c4ccccc4)c4ccccc4)CN3CCO)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MTNR1A P48039 7/20 0.31
MTNR1B P49286 4/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
GAA P10253 1/20 0.31
NQO2 P16083 1/20 0.31
FAAH O00519 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
SCHEMBL7164728 0.77 SIRT2 (0.42) ALDH1A1MEN1LMNAKMT2AATM
SCHEMBL7247143 0.70 ALDH1A1 (0.46) ALDH1A1MTNR1ACA1CA2CYP2C19
SCHEMBL7163976 0.70 MTNR1A (0.43) ALDH1A1LMNAMTNR1AMTNR1BCA1
SCHEMBL7164487 0.68 SIRT2 (0.38) ALDH1A1LMNAKMT2AKDM4EGAA
SCHEMBL487112 0.63 TRPV1 (0.44) ALDH1A1MEN1KMT2AMTNR1ACA1
SCHEMBL6437908 0.60 TRPV1 (0.55) MEN1KMT2AKDM4EMAPT
SCHEMBL6827222 0.59 TRPV1 (0.59) ALDH1A1MEN1KMT2ACA1CA2
SCHEMBL6825142 0.59 KDM4E (0.72) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL8755775 0.59 CASP6 (0.48) ALDH1A1MTNR1AMTNR1BCA1CA2
SCHEMBL8923098 0.58 PLAU (0.54) ALDH1A1MEN1LMNAKMT2AMTNR1A

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-2000025789-A1 A METHOD OF TREATING ENDOMETRIOSIS MERCK & CO., INC. (US) 2000-05-11 WO disclosed