SCHEMBL24659060

SCHEMBL24659060

COc1cc(NC2CCN([C@@H]3C(CCO)CC4CCCC3C4)CC2)ccc1N

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 5/20 0.32
▸ GAA P10253 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ GFER P55789 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL23479987 0.80 SIGMAR1 (0.42) POLBGFERALDH1A1SMN1; SMN2MAPT
SCHEMBL29851330 0.80 SIGMAR1 (0.42) POLBGFERALDH1A1SMN1; SMN2MAPT
SCHEMBL23480485 0.77 HSD11B1 (0.38) GFERALDH1A1SIGMAR1
SCHEMBL29171007 0.77 HSD11B1 (0.38) GFERALDH1A1SIGMAR1
SCHEMBL23480099 0.77 HSD11B1 (0.38) GFERALDH1A1SIGMAR1
SCHEMBL24658852 0.73 ALDH1A1 (0.34) GAAPOLBGFERALDH1A1SMN1; SMN2
SCHEMBL12749148 0.72 POLB (0.51) POLBALDH1A1
SCHEMBL29973250 0.72 POLB (0.51) POLBALDH1A1
SCHEMBL14180558 0.67 KDM4E (0.58) GAAPOLBALDH1A1NPSR1HTT
SCHEMBL14180548 0.65 NSD2 (0.58) POLBMEN1KMT2ASIGMAR1

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-4074697-A2 NOVEL ADAMANTANE DERIVATIVES AS INHIBITORS OF FOCAL ADHESION KINASE Samjin Pharmaceutical Co., Ltd. (KR) 2022-10-19 — — EP disclosed
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