SCHEMBL20552856

SCHEMBL20552856

CC(C)(C)N1CCC(O)(Cn2nnc(-c3ccccc3Nc3ccc(C(F)(F)F)cc3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 9/20 0.39
▸ ABCB1 P08183 2/20 0.37
▸ LMNA P02545 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ MAPT P10636 1/20 0.35
▸ DDX3X O00571 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TAS2R14 Q9NYV8 1/20 0.34

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
SCHEMBL21749259 0.91 ABCG2 (0.44) ABCG2ABCB1LMNAALDH1A1SMN1; SMN2
SCHEMBL20552634 0.89 ABCG2 (0.42) ABCG2ABCB1LMNAALDH1A1SMN1; SMN2
SCHEMBL20551944 0.89 ABCG2 (0.42) ABCG2ABCB1LMNAALDH1A1SMN1; SMN2
SCHEMBL20551705 0.88 ABCG2 (0.42) ABCG2ABCB1LMNAALDH1A1SMN1; SMN2
SCHEMBL20552570 0.88 ABCG2 (0.42) ABCG2ABCB1LMNAALDH1A1RAB9A
SCHEMBL20551679 0.88 ABCG2 (0.45) ABCG2ABCB1ALDH1A1MAPT
SCHEMBL20552316 0.87 ABCG2 (0.39) ABCG2ABCB1LMNAALDH1A1RAB9A
SCHEMBL20553252 0.86 ABCG2 (0.41) ABCG2ABCB1LMNAALDH1A1SMN1; SMN2
SCHEMBL20552781 0.86 ABCG2 (0.41) ABCG2ABCB1LMNAALDH1A1RAB9A
SCHEMBL20552399 0.85 ABCG2 (0.42) ABCG2ABCB1LMNAALDH1A1RAB9A

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
EP-3618818-A1 NON-FUSED TRICYCLIC COMPOUNDS Vivace Therapeutics, Inc. (US) 2020-03-11 — — EP disclosed
WO-2018204532-A1 NON-FUSED TRICYCLIC COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2018-11-08 — — WO disclosed
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