SCHEMBL6769828

SCHEMBL6769828

Cc1nn(-c2cccc(Cl)c2)c2c1C(=O)CCC2

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.67
SRC P12931 3/20 0.57
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 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
SCHEMBL6770366 0.85 SRC (0.56) OPRM1SRCKMT2AALDH1A1KDM4E
SCHEMBL6772487 0.85 SRC (0.53) OPRM1SRCMAPK1KMT2AHPGD
SCHEMBL6769466 0.85 SRC (0.53) OPRM1SRCMAPK1KMT2AHPGD
SCHEMBL6162529 0.84 OPRM1 (0.56) OPRM1SRCKMT2AHPGDALDH1A1
SCHEMBL6771814 0.83 SRC (0.60) OPRM1SRCMAPK1KMT2AHPGD
SCHEMBL6771081 0.83 ALDH1A1 (0.58) OPRM1SRCMAPK1KMT2AHPGD
SCHEMBL6770710 0.82 SRC (0.50) OPRM1SRCMAPK1KMT2AHPGD
SCHEMBL6771820 0.81 OPRM1 (0.75) OPRM1SRCOPRD1OPRK1
SCHEMBL6777711 0.81 OPRM1 (0.45) OPRM1SRCMAPK1KMT2AHPGD
SCHEMBL6769819 0.78 OPRM1 (0.43) OPRM1SRCMAPK1KMT2AHPGD

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-6716856-B1 CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA & TUBJOHN SPA (IT) 2004-04-06 US disclosed