SCHEMBL18291578

SCHEMBL18291578

CC(=O)N(Cc1ccc(C)nc1)C[C@@H]1CCCO1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.50
▸ TP53 P04637 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ OXTR P30559 3/20 0.48
▸ AVPR1A P37288 3/20 0.48
▸ GAA P10253 4/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 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
SCHEMBL18291592 1.00 POLB (0.50) POLBTP53MAPTOXTRAVPR1A
SCHEMBL20037784 0.87 OXTR (0.48) POLBTP53MAPTOXTRAVPR1A
SCHEMBL18291743 0.87 OXTR (0.48) POLBTP53MAPTOXTRAVPR1A
SCHEMBL20255419 0.87 OXTR (0.48) POLBTP53MAPTOXTRAVPR1A
SCHEMBL18291731 0.87 OXTR (0.48) POLBTP53MAPTOXTRAVPR1A
SCHEMBL20249136 0.85 OXTR (0.46) POLBTP53MAPTOXTRAVPR1A
SCHEMBL20037690 0.85 OXTR (0.46) POLBTP53MAPTOXTRAVPR1A
SCHEMBL20249138 0.85 OXTR (0.46) POLBTP53MAPTOXTRAVPR1A
SCHEMBL16059596 0.81 NPC1 (0.59) POLBTP53MAPTOXTRAVPR1A
SCHEMBL18291553 0.79 SMN1; SMN2 (0.47) POLBTP53MAPTGAAMEN1

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-2016194831-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 帝人ファーマ株式会社 2016-12-08 — — WO disclosed
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