SCHEMBL14610646

SCHEMBL14610646

NCCCN(Cc1ccc(F)cc1)C(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.58
LPAR5 Q9H1C0 7/20 0.58
NR4A2 P43354 1/20 0.54
MAOB P27338 2/20 0.53
PARP10 Q53GL7 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SLC2A1 P11166 1/20 0.52
LIMK2 P53671 1/20 0.52
KMT2A Q03164 1/20 0.52
ALOX5 P09917 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51

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
SCHEMBL14610640 0.88 NR4A2 (0.47) LPAR1LPAR5NR4A2MAOBPARP10
SCHEMBL14609997 0.86 LPAR1 (0.48) LPAR1LPAR5MAOBKMT2AALOX5
SCHEMBL14610653 0.85 LPAR1 (0.52) LPAR1LPAR5NR4A2PARP10NPC1
SCHEMBL14610644 0.85 HPGD (0.51) LPAR1LPAR5NPC1RAB9ALIMK2
SCHEMBL14610217 0.84 TRPM8 (0.60) LPAR1LPAR5NPC1RAB9ALIMK2
SCHEMBL14610600 0.84 TRPM8 (0.48) LPAR1LPAR5KMT2A
SCHEMBL14611127 0.84 LPAR1 (0.52) LPAR1LPAR5SLC2A1LIMK2KMT2A
SCHEMBL14610662 0.84 LPAR1 (0.54) LPAR1LPAR5NPC1RAB9ASLC2A1
SCHEMBL14610913 0.83 LPAR1 (0.55) LPAR1LPAR5NR4A2MAOBPARP10
SCHEMBL14610645 0.83 LPAR1 (0.47) LPAR1LPAR5SLC2A1LIMK2KMT2A

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-2007017092-A1 SUBSTITUTED 4-BENZYLOXY-BENZOIC ACID AMIDE DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-02-15 WO disclosed