SCHEMBL29560686

SCHEMBL29560686

COC(=O)C=C1CCN(Cc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.47
ADORA1 P30542 3/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL12606489 1.00 OPRK1 (0.47) OPRK1ADORA1KMT2AKDM4ENPC1
SCHEMBL5036890 0.92 KMT2A (0.48) KMT2AALDH1A1MEN1LMNA
SCHEMBL2831248 0.87 MEN1 (0.54) ADORA1KMT2ANPC1ALDH1A1MAPK1
SCHEMBL8576896 0.87 MEN1 (0.54) ADORA1KMT2ANPC1ALDH1A1MAPK1
SCHEMBL2831250 0.87 MEN1 (0.54) ADORA1KMT2ANPC1ALDH1A1MAPK1
SCHEMBL4532631 0.84 ADORA1 (0.50) ADORA1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL4532628 0.84 ADORA1 (0.50) ADORA1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL8542919 0.80 MEN1 (0.47) ADORA1KMT2AKDM4EALDH1A1GAA
SCHEMBL8542921 0.80 MEN1 (0.47) ADORA1KMT2AKDM4EALDH1A1GAA
SCHEMBL4579407 0.78 KMT2A (0.56) ADORA1KMT2AALDH1A1MAPK1SMN1; SMN2

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
EP-3983401-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME Arkuda Therapeutics (US) 2022-04-20 EP disclosed