SCHEMBL23713771

SCHEMBL23713771

CCCC(CCCc1ccc(N)cc1)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.43
▸ GFER P55789 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ MAOA P21397 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL11136447 0.83 SIGMAR1 (0.49) SIGMAR1
SCHEMBL13784537 0.77 MAOB (0.47) MAOBGFERMAPTHTR2AMAOA
SCHEMBL111607 0.73 GFER (0.62) MAOBGFERMAPTHTR2AMAOA
SCHEMBL8100042 0.72 MAOB (0.55) MAOBGFERMAPTHTR2AMAOA
SCHEMBL8100323 0.72 MAOB (0.50) MAOBGFERMAPTHTR2AMAOA
SCHEMBL11244317 0.72 GFER (0.54) MAOBGFERHTR2AMAOAALDH1A1
SCHEMBL109256 0.72 HTR2A (0.72) MAOBGFERMAPTHTR2AKDM4E
Iodide SCHEMBL31425562 0.72 HTR2A (0.59) MAOBGFERMAPTHTR2AMAOA
Hydrochloric Acid SCHEMBL2857384 0.72 MAOB (0.61) MAOBGFERMAPTHTR2AMAOA
SCHEMBL10605113 0.72 MAOB (0.48) MAOBGFERMAPTHTR2AMAOA

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-3858835-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 Therapeutics, Inc. (US) 2021-08-04 — — EP disclosed
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