SCHEMBL6154648

SCHEMBL6154648

O=C(O)C1CNc2ccc(OCCCC3CCCNC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
KMT2A Q03164 1/20 0.41
MAP2K1 Q02750 1/20 0.38
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
HPGD P15428 1/20 0.37
NPY1R P25929 5/20 0.35
ACP1 P24666 3/20 0.35
P2RY12 Q9H244 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
SCHEMBL6142857 0.89 CYP4F2 (0.40) CYP4F2CYP4A11KMT2AMAP2K1ITGB3
SCHEMBL6142980 0.87 F10 (0.43) KMT2ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6143785 0.86 GPR119 (0.39) CYP4F2CYP4A11KMT2AMAP2K1ITGB3
SCHEMBL6143003 0.86 ACP1 (0.39) CYP4F2CYP4A11KMT2AMAP2K1HPGD
SCHEMBL6143437 0.85 ACP1 (0.40) KMT2AACP1P2RY12
SCHEMBL6143729 0.85 KMT2A (0.36) CYP4F2CYP4A11KMT2AMAP2K1ITGB3
SCHEMBL6143541 0.83 P2RY12 (0.36) CYP4F2CYP4A11KMT2AITGB3ITGA2B
SCHEMBL6143502 0.81 MAP2K1 (0.38) KMT2AMAP2K1HPGDNPY1RACP1
SCHEMBL6143453 0.81 NPY1R (0.38) MAP2K1NPY1RACP1
SCHEMBL6153832 0.79 HRH2 (0.44)

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