SCHEMBL19301780

SCHEMBL19301780

Cc1cc(C2CC2)nn1CC1CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
CRHR2 Q13324 2/20 0.36
MAP3K12 Q12852 3/20 0.35
NOTUM Q6P988 1/20 0.35

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
SCHEMBL25946364 0.89 MERTK (0.39)
SCHEMBL17054293 0.81 EPHX2 (0.37) ALDH1A1
SCHEMBL31532323 0.81 TLR9 (0.32)
SCHEMBL15483107 0.79 CRHR1 (0.52) CRHR1ALDH1A1LMNAPOLB
SCHEMBL25586337 0.79 GRM2 (0.40) L3MBTL1MAPTALDH1A1LMNAPOLB
SCHEMBL23566750 0.78 CRHR1 (0.40) CRHR1L3MBTL1MAPTALDH1A1LMNA
SCHEMBL24884369 0.76 MPO (0.40) CRHR1L3MBTL1MAPTALDH1A1LMNA
SCHEMBL19301624 0.76 GRM2 (0.41) CRHR1L3MBTL1MAPTALDH1A1LMNA
SCHEMBL19659498 0.75 CNR1 (0.41)
SCHEMBL23213634 0.75 LMNA (0.60) L3MBTL1ALDH1A1LMNA

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-2017147102-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS, INC. (US) 2017-08-31 WO disclosed