SCHEMBL21784003

SCHEMBL21784003

Bc1ccc2c(c1)C(=O)N(C(C)C)CC2

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 11/20 0.38
▸ NOTUM Q6P988 1/20 0.35
▸ EZH2 Q15910 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL19332857 0.81 PARP1 (0.44) GRM5MEN1KMT2A
SCHEMBL18067757 0.81 HPGD (0.42) GRM5NOTUM
SCHEMBL4316519 0.79 DRD2 (0.49) GRM5MEN1KMT2A
SCHEMBL29896985 0.77 GRM5 (0.47) GRM5MEN1KMT2A
SCHEMBL6924020 0.77 GRM5 (0.47) GRM5MEN1KMT2A
Hydrochloric Acid SCHEMBL29896869 0.76 GRM5 (0.46) GRM5MEN1KMT2A
SCHEMBL12628111 0.73 GRM5 (0.49) GRM5NOTUM
SCHEMBL19332797 0.73 BACE1 (0.43) GRM5NOTUM
SCHEMBL10296104 0.72 MEN1 (0.65) GRM5MEN1KMT2A
SCHEMBL2741632 0.72 GRM5 (0.40) GRM5

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-2020046975-A1 METHODS OF TREATING NEURODEGENERATIVE DISEASES Seal Rock Therapeutics, Inc. (US) 2020-03-05 — — WO disclosed
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