SCHEMBL26925313

SCHEMBL26925313

CC1CN(CC2CCN(C(=O)OCc3ccccc3)CC2)CCN1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ CYP2C19 P33261 1/20 0.52
▸ GRIN2B Q13224 10/20 0.50
▸ CYP2D6 P10635 4/20 0.49
▸ CYP2C9 P11712 4/20 0.49
▸ PDK1 Q15118 1/20 0.49
▸ PDK2 Q15119 1/20 0.49
▸ PDK3 Q15120 1/20 0.49
▸ PDK4 Q16654 1/20 0.49
▸ HTT P42858 1/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ FAAH O00519 1/20 0.46

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
SCHEMBL26925307 1.00 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL26927351 1.00 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL30731961 0.89 PDK1 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL30732153 0.89 PDK1 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL26925618 0.86 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL26925613 0.86 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL26924699 0.85 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL27140654 0.85 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL22497996 0.83 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL13661325 0.83 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B

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-2023240038-A1 TRICYCLIC QUINOLONE BCL6 BIFUNCTIONAL DEGRADERS Treeline Biosciences, Inc. (US) 2023-12-14 — — WO disclosed
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