SCHEMBL14917751

SCHEMBL14917751

O=C(NC1CCN(C(=O)O)CC1)C(Br)CCCBr

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.35
EPHX1 P07099 3/20 0.35
CACNA1B Q00975 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL788997 0.91 EPHX2 (0.36) EPHX2EPHX1CACNA1BKDM4ERAB9A
SCHEMBL7615575 0.85 KMT2A (0.41) EPHX2SIGMAR1RAB9A
SCHEMBL7615570 0.85 KMT2A (0.41) EPHX2SIGMAR1RAB9A
SCHEMBL7615580 0.85 KMT2A (0.41) EPHX2SIGMAR1RAB9A
SCHEMBL2597299 0.81 EPHX1 (0.53) EPHX2EPHX1RAB9AHPGD
SCHEMBL15114600 0.75 FPR2 (0.41) EPHX2EPHX1SIGMAR1KDM4E
SCHEMBL8806885 0.74 KMT2A (0.43) EPHX2EPHX1SIGMAR1KDM4ERAB9A
SCHEMBL8559580 0.74 HPGD (0.52) TSHRHPGD
SCHEMBL21597919 0.74 HDAC3 (0.50) EPHX2EPHX1HPGD
SCHEMBL789907 0.72 EPHX1 (0.55) EPHX2EPHX1KDM4ERAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013066869-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2013-05-10 WO disclosed