SCHEMBL15967341

SCHEMBL15967341

CC(C)Oc1cc(C(=O)N(C)C2C3CNCC32)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 5/20 0.39
NLRP3 Q96P20 1/20 0.37
MBTPS1 Q14703 2/20 0.36
IRAK4 Q9NWZ3 5/20 0.34
TTK P33981 1/20 0.34
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 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
SCHEMBL3773452 0.76 TOP2A (0.44) BCL2L1IRAK4KCNQ3KCNQ2
SCHEMBL760138 0.75 MLYCD (0.43) BCL2L1NLRP3TTKKCNQ3KCNQ2
SCHEMBL1091526 0.64 KCNQ3 (0.47) BCL2L1KCNQ3KCNQ2
SCHEMBL11916155 0.64 HTR1A (0.41) IRAK4
SCHEMBL16068790 0.64 ALDH1A1 (0.45) KCNQ3KCNQ2
SCHEMBL3773454 0.64 MEN1 (0.35) IRAK4
SCHEMBL5443635 0.63 BCL2L1 (0.65) BCL2L1IRAK4
SCHEMBL5146842 0.62 BCL2L1 (0.54) BCL2L1
SCHEMBL4322471 0.62 TSHR (0.42) KCNQ3KCNQ2
SCHEMBL9835945 0.61 KCNQ3 (0.38) IRAK4KCNQ3KCNQ2

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-1869019-B1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PROD INC (US) 2014-08-27 EP claimed