SCHEMBL9733745

SCHEMBL9733745

CC1(C)Cc2ccc(C#N)cc2C(Sc2ccccn2)C1O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 6/20 0.38
CNR2 P34972 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HCRTR2 O43614 3/20 0.35
ABCB1 P08183 3/20 0.34
ATM Q13315 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL9738782 0.79 CNR2 (0.37) ABCC9CNR2ABCB1CYP11B1CYP11B2
SCHEMBL9735224 0.78 BACE1 (0.36) ABCC9CNR2ABCB1
SCHEMBL7332132 0.78 ABCC9 (0.56) ABCC9ABCB1
SCHEMBL9733529 0.77 ABCC9 (0.41) ABCC9CNR2HCRTR2ABCB1
SCHEMBL1573018 0.72 CYP11B1 (0.49) ABCC9CNR2ABCB1CYP11B1CYP11B2
SCHEMBL10560531 0.72 CNR2 (0.42) ABCC9CNR2ABCB1CYP11B1CYP11B2
SCHEMBL10560535 0.72 CNR2 (0.42) ABCC9CNR2ABCB1CYP11B1CYP11B2
SCHEMBL9735072 0.71 ABCC9 (0.36) ABCC9CNR2ABCB1CYP11B1CYP11B2
SCHEMBL8076948 0.70 ABCC9 (0.43) ABCC9ABCB1
SCHEMBL10564738 0.69 CNR2 (0.48) ABCC9CNR2ABCB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5132307-A TETRALIN COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-21 US disclosed
EP-0368160-A1 Tetralin derivatives MERCK PATENT GmbH (DE) 1990-05-16 EP disclosed