SCHEMBL21638680

SCHEMBL21638680

CC(C)CC(=O)N1c2ccc(-c3cnn(CCF)c3)cc2N(C(=O)O)C[C@@H]1C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 11/20 0.48
▸ NAMPT P43490 3/20 0.39
▸ GPER1 Q99527 3/20 0.38
▸ PRMT5 O14744 2/20 0.37
▸ WDR77 Q9BQA1 2/20 0.37
▸ IDH1 O75874 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
SCHEMBL21638456 0.92 BRD4 (0.49) BRD4NAMPTGPER1PRMT5WDR77
SCHEMBL21638620 0.91 BRD4 (0.46) BRD4NAMPTGPER1
SCHEMBL21638712 0.90 BRD4 (0.47) BRD4NAMPTIDH1
SCHEMBL21638678 0.89 BRD4 (0.48) BRD4NAMPTGPER1IDH1
SCHEMBL21638490 0.89 BRD4 (0.46) BRD4NAMPT
SCHEMBL21638725 0.88 BRD4 (0.45) BRD4NAMPTGPER1PRMT5WDR77
SCHEMBL16722365 0.88 BRD4 (0.56) BRD4NAMPTGPER1
SCHEMBL21638689 0.88 BRD4 (0.47) BRD4NAMPTGPER1
SCHEMBL21638695 0.87 BRD4 (0.47) BRD4NAMPT
SCHEMBL21638444 0.87 BRD4 (0.47) BRD4

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-3071205-B1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS INC (US) 2020-02-05 — — EP disclosed
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