SCHEMBL26037440

SCHEMBL26037440

Cc1cc(OCCN2CCN(C)CC2)cc2cc(C=O)n(C)c12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ SIGMAR1 Q99720 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ APP P05067 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CXCR1 P25024 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL30984058 0.79 LTA4H (0.49) HRH3DRD3LTA4HMEN1KMT2A
SCHEMBL6034272 0.72 MEN1 (0.51) HRH3DRD3LTA4HMEN1KMT2A
SCHEMBL1251462 0.70 KDM4E (0.55) HRH3LTA4HMEN1KMT2AKDM4E
SCHEMBL23640213 0.69 MEN1 (0.58) HRH3DRD3LTA4HMEN1KMT2A
SCHEMBL26581441 0.69 KDM4E (0.52) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL5217666 0.68 LTA4H (0.62) DRD3LTA4HMEN1KMT2AKDM4E
SCHEMBL10176156 0.66 MEN1 (0.55) HRH3DRD3LTA4HMEN1KMT2A
SCHEMBL6035058 0.66 MEN1 (0.55) HRH3DRD3LTA4HMEN1KMT2A
SCHEMBL19541465 0.66 MEN1 (0.58) HRH3DRD3LTA4HMEN1KMT2A
SCHEMBL12311929 0.65 MEN1 (0.53) HRH3DRD3LTA4HMEN1KMT2A

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-3423435-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2023-08-23 — — EP disclosed
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