SCHEMBL6143003

SCHEMBL6143003

O=C(NC1CCCCC1)C1CNc2ccc(OCCCC3CCCNC3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NAAA Q02083 4/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
EPHX1 P07099 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ASAH1 Q13510 1/20 0.36
MAP2K1 Q02750 1/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
P2RY12 Q9H244 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6154648 0.86 CYP4F2 (0.42) ACP1KMT2AHPGDCYP4F2CYP4A11
SCHEMBL6142857 0.85 CYP4F2 (0.40) KMT2ANAAAHPGDCYP4F2CYP4A11
SCHEMBL6142980 0.85 F10 (0.43) ACP1KMT2A
SCHEMBL6143437 0.85 ACP1 (0.40) ACP1KMT2AMEN1P2RY12
SCHEMBL6143785 0.81 GPR119 (0.39) KMT2AHPGDCYP4F2CYP4A11MAP2K1
SCHEMBL6143729 0.79 KMT2A (0.36) ACP1KMT2ANAAACYP4F2CYP4A11
SCHEMBL6143541 0.78 P2RY12 (0.36) KMT2ACYP4F2CYP4A11P2RY12
SCHEMBL5567468 0.77 ACP1 (0.53) ACP1HPGDMAPTKDM4ELMNA
SCHEMBL5563059 0.77 ACP1 (0.53) ACP1HPGDMAPTKDM4ELMNA
SCHEMBL5562593 0.76 ACP1 (0.52) ACP1HPGDMAPT

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-1585731-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATON AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-10-19 EP disclosed
WO-2004026837-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS, PREPARATON AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2004-04-01 WO disclosed