SCHEMBL17205684

SCHEMBL17205684

CN1CCN(C2=CCCN(c3ccc(N4CCCCC4=O)cc3)C2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.48
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ BRD9 Q9H8M2 1/20 0.40
▸ AKR1C3 P42330 5/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ F2 P00734 3/20 0.36
▸ F10 P00742 3/20 0.36
▸ SLC29A1 Q99808 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ TSHR P16473 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
SCHEMBL5444324 0.85 ALDH1A1 (0.48) HPGDKMT2AALDH1A1AKR1C3L3MBTL1
SCHEMBL17205569 0.82 MAPT (0.56) KMT2AALDH1A1
SCHEMBL16730262 0.81 ALDH1A1 (0.52) HPGDMEN1KMT2AALDH1A1AKR1C3
SCHEMBL17205575 0.77 SIRT6 (0.61) HPGDALDH1A1
SCHEMBL8357983 0.76 ALDH1A1 (0.41) MEN1KMT2AALDH1A1L3MBTL1F2
SCHEMBL17507092 0.75 ALDH1A1 (0.46) HPGDALDH1A1BRD9AKR1C3F2
SCHEMBL8360878 0.75 DRD2 (0.43) MEN1KMT2AALDH1A1L3MBTL1TSHR
SCHEMBL18028120 0.75 ALDH1A1 (0.42) HPGDMEN1KMT2AALDH1A1F10
SCHEMBL16730424 0.74 ALDH1A1 (0.49) HPGDMEN1KMT2AALDH1A1BRD9
SCHEMBL5441070 0.74 MEN1 (0.36) MEN1KMT2AALDH1A1AKR1C3L3MBTL1

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
WO-2015162551-A1 PROCESS FOR THE PREPARATION OF APIXABAN MYLAN LABORATORIES LTD (IN) 2015-10-29 — — WO disclosed
WO-2015162551-A1 PROCESS FOR THE PREPARATION OF APIXABAN MYLAN LABORATORIES LTD (IN) 2015-10-29 — — WO disclosed
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