SCHEMBL20627345

SCHEMBL20627345

O=C(N[C@@H]1CCCCC1O)Oc1ccccc1Br

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EPHX1 P07099 2/20 0.45
RAB9A P51151 2/20 0.44
CHRNA7 P36544 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CNR2 P34972 1/20 0.40
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NAMPT P43490 2/20 0.39
FAAH O00519 1/20 0.37
LHCGR P22888 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
CNR1 P21554 1/20 0.37

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
SCHEMBL830513 0.81 EPHX1 (0.66) LMNAKMT2AHPGDHTTSMN1; SMN2
SCHEMBL23795440 0.80 EPHX1 (0.59) LMNAKMT2AHPGDHTTSMN1; SMN2
SCHEMBL8418545 0.80 ALDH1A1 (0.65) EPHX1RAB9ACHRNA7ALDH1A1FAAH
SCHEMBL20627048 0.76 RAB9A (0.50) LMNAKMT2AHPGDHTTSMN1; SMN2
SCHEMBL13326281 0.70 EPHX1 (0.58) KMT2AEPHX1ALDH1A1
SCHEMBL5749471 0.70 EPHX1 (0.58) KMT2AEPHX1ALDH1A1
SCHEMBL760437 0.70 EPHX1 (0.58) KMT2AEPHX1ALDH1A1
SCHEMBL18544232 0.70 EPHX1 (0.58) KMT2AEPHX1ALDH1A1
SCHEMBL13917140 0.70 EPHX1 (0.58) KMT2AEPHX1ALDH1A1
SCHEMBL5751554 0.70 EPHX1 (0.58) KMT2AEPHX1ALDH1A1

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
EP-3070085-B1 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-09 EP disclosed