SCHEMBL10347189

SCHEMBL10347189

CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](CCc3ccc(OC(=O)CCC)cn3)CC2)CC1.CCCC[C@H]1CC[C@H]([C@H]2CC[C@H](CCc3ccc(OC(=O)CCC)cn3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 5/20 0.36
▸ ITGA2B P08514 5/20 0.36
▸ KMT2A Q03164 5/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ BCL9 O00512 1/20 0.34
▸ CTNNB1 P35222 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CNR2 P34972 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ HRH2 P25021 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ITGAV P06756 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33

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
SCHEMBL10347440 0.96 ITGB3 (0.38) ITGB3ITGA2BKMT2ASMN1; SMN2RAB9A
SCHEMBL10347442 0.96 ITGB3 (0.38) ITGB3ITGA2BKMT2ASMN1; SMN2RAB9A
SCHEMBL10347176 0.95 KMT2A (0.38) ITGB3ITGA2BKMT2ASMN1; SMN2RAB9A
SCHEMBL10347172 0.95 KMT2A (0.40) ITGB3ITGA2BKMT2ASMN1; SMN2RAB9A
SCHEMBL10347175 0.95 KMT2A (0.40) ITGB3ITGA2BKMT2ASMN1; SMN2RAB9A
SCHEMBL10347171 0.95 KMT2A (0.38) ITGB3ITGA2BKMT2ASMN1; SMN2RAB9A
SCHEMBL10347173 0.95 KMT2A (0.40) ITGB3ITGA2BKMT2ASMN1; SMN2RAB9A
SCHEMBL10347174 0.95 KMT2A (0.38) ITGB3ITGA2BKMT2ASMN1; SMN2RAB9A
SCHEMBL10347427 0.95 KMT2A (0.38) ITGB3ITGA2BKMT2ASMN1; SMN2RAB9A
SCHEMBL10347426 0.95 KMT2A (0.38) ITGB3ITGA2BKMT2ASMN1; SMN2RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0365641-A1 PYRIDINE DERIVATIVES MERCK PATENT GmbH (DE) 1990-05-02 — — EP disclosed
WO-1989010356-A1 PYRIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-11-02 — — WO disclosed
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