SCHEMBL28802159

SCHEMBL28802159

O=CN(c1ccc(-c2ccc(C(=O)O)cc2)nc1)N1CCC(=Cc2ccccn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.39
SRD5A2 P31213 3/20 0.37
ABL1 P00519 3/20 0.37
BCR P11274 3/20 0.37
ADH5 P11766 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TGFBR1 P36897 1/20 0.35
PDE10A Q9Y233 1/20 0.35
TP53 P04637 1/20 0.34
SLC6A7 Q99884 1/20 0.34
HPGDS O60760 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
TACR3 P29371 1/20 0.32
TRPM8 Q7Z2W7 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
SCHEMBL27900550 0.83 CSNK2A1 (0.38) SRD5A2TGFBR1PDE10ASLC6A7TACR3
SCHEMBL27918264 0.79 SRD5A2 (0.35) SRD5A2
SCHEMBL457743 0.77 PTPN1 (0.44) LDHAADH5
SCHEMBL28802184 0.74 KDM4E (0.33) NPC1RAB9ASMN1; SMN2TP53
SCHEMBL27918356 0.73 OGA (0.34) NPC1RAB9ATGFBR1HPGDS
SCHEMBL459476 0.69 NPY5R (0.44) SRD5A2NPC1RAB9ASMN1; SMN2PDE10A
SCHEMBL458505 0.69 CNR2 (0.49) SRD5A2
SCHEMBL460114 0.69 NPY5R (0.40) ABL1BCR
SCHEMBL460023 0.67 CSNK2A2 (0.46) LDHASRD5A2NPC1RAB9ASMN1; SMN2
SCHEMBL458101 0.67 KDM4E (0.45) NPC1RAB9ASMN1; SMN2

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
CN-103080086-B Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO LTD 2014-11-05 CN claimed
CN-103080086-B Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO LTD 2014-11-05 CN disclosed
CN-103080086-A Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO LTD 2013-05-01 CN disclosed