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SCHEMBL19980720

SCHEMBL19980720

CC(C)N(C)C(O)c1cc(F)ccc1-n1c(=O)n(C2CCN(CC[C@H]3CC[C@H](N)CC3)CC2)c2ccncc21

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.34
▸ HTR2A P28223 4/20 0.33
▸ HTR7 P34969 4/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ LYN P07948 1/20 0.32
▸ BLK P51451 1/20 0.32
▸ KDM4C Q9H3R0 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
SCHEMBL19972651 0.87 CYP3A4 (0.36) CYP3A4HTR2AHTR7KCNH2CYP2D6
SCHEMBL19972649 0.87 CYP3A4 (0.36) CYP3A4HTR2AHTR7KCNH2CYP2D6
SCHEMBL26036573 0.80 KDM4C (0.36) CYP3A4HTR2AHTR7KCNH2CYP2D6
SCHEMBL19972536 0.78 DRD3 (0.39) HTR2ADRD2KDM4C
SCHEMBL19972537 0.78 DRD3 (0.39) HTR2ADRD2KDM4C
SCHEMBL19972577 0.77 HTR2A (0.43) HTR2AKCNH2DRD2KDM4C
SCHEMBL19972579 0.77 HTR2A (0.43) HTR2AKCNH2DRD2KDM4C
SCHEMBL30265953 0.75 DRD2 (0.40) HTR2ADRD2
SCHEMBL30266055 0.75 DRD2 (0.40) HTR2ADRD2
SCHEMBL19980715 0.73 CYP3A4 (0.38) CYP3A4HTR2AHTR7KCNH2CYP2D6

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-2018053267-A1 INHIBITORS OF THE MENIN-MLL INTERACTION VITAE PHARMACEUTICALS, INC. (US) 2018-03-22 — — WO disclosed