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SCHEMBL5715448

SCHEMBL5715448

Cc1cccc(CCN2CCN(C(=O)Oc3ccc(NC(=O)C4CCCCC4)cc3)CC2)n1.O=C(Nc1ccc(OC(=O)N2CCN(CCc3ccccn3)CC2)cc1)C1CCCCC1.O=C(Nc1ccc(OC(=O)N2CCN(Cc3ccccn3)CC2)cc1)C1CCCCC1.O=C(Nc1ccc(OC(=O)N2CCN(Cc3ccncn3)CC2)cc1)C1CCCCC1.O=C(Nc1ccc(OC(=O)N2CCN(Cc3cnccn3)CC2)cc1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ WNT1 P04628 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ DYRK1A Q13627 2/20 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
SCHEMBL5714773 0.86 KDM4E (0.43) KDM4EALDH1A1KMT2A
SCHEMBL5715296 0.84 KMT2A (0.43) KMT2A
SCHEMBL5715213 0.84 KCNH2 (0.48) KDM4EKCNH2ALDH1A1CYP3A4CYP2D6
SCHEMBL5714785 0.84 KDM4E (0.39) KDM4EALDH1A1KMT2A
SCHEMBL5714253 0.82 TP53 (0.48) —
SCHEMBL5714684 0.82 KDM4E (0.39) KDM4EALDH1A1KMT2A
SCHEMBL5715107 0.82 LIPE (0.47) ALDH1A1KMT2A
SCHEMBL5714514 0.82 LIPE (0.45) KDM4EKMT2AWNT1GSK3BDYRK1A
SCHEMBL5714410 0.81 RAB9A (0.42) KDM4EALDH1A1KMT2A
SCHEMBL5715678 0.81 KMT2A (0.49) KDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006527212-A — — 2006-11-30 — — JP claimed
EP-1636187-A1 SUBSTITUTED PIPERAZINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2006-03-22 — — EP claimed
WO-2004111004-A1 SUBSTITUTED PIPERAZINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-12-23 — — WO claimed