SCHEMBL29101203

SCHEMBL29101203

CNC1(c2cccs2)CC(F)(F)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.47
OPRL1 P41146 2/20 0.47
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.39
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
SLC6A2 P23975 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ICMT O60725 1/20 0.34
MEN1 O00255 1/20 0.33
PRCP P42785 1/20 0.33
KMT2A Q03164 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL29101204 0.78 OPRM1 (0.53) OPRM1OPRL1SLC6A4SLC6A3LMNA
SCHEMBL24946122 0.76 SLC6A4 (0.57) OPRM1OPRL1SLC6A4SLC6A3LMNA
Hydrochloric Acid SCHEMBL6203736 0.75 SLC6A4 (0.55) OPRM1OPRL1SLC6A4SLC6A3LMNA
SCHEMBL29101213 0.74 OPRM1 (0.49) OPRM1OPRL1SLC6A4LMNAKMT2A
SCHEMBL3924761 0.72 OPRM1 (0.48) OPRM1OPRL1SLC6A4SLC6A3LMNA
Ethylene SCHEMBL11096261 0.70 OPRM1 (0.46) OPRM1OPRL1SLC6A4SLC6A3LMNA
SCHEMBL3927005 0.70 OPRM1 (0.49) OPRM1OPRL1SLC6A4SLC6A3LMNA
SCHEMBL24525794 0.69 SLC6A3 (0.37) OPRM1OPRL1SLC6A4SLC6A3SLC6A2
SCHEMBL24525775 0.68 SLC6A2 (0.62) OPRM1OPRL1SLC6A4SLC6A3SLC6A2
SCHEMBL24462787 0.67 SLC6A4 (0.47) OPRM1OPRL1SLC6A4SLC6A3LMNA

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
CN-116940563-A CDK inhibitors and their use as pharmaceuticals 普莱鲁德疗法有限公司 2023-10-24 CN disclosed