SCHEMBL11479809

SCHEMBL11479809

NC(Cc1ccccc1)C(=O)NC(Cc1cnc[nH]1)C(F)F

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
NLN Q9BYT8 3/20 0.51
REN P00797 1/20 0.51
CYP3A4 P08684 1/20 0.50
SLC7A5 Q01650 1/20 0.50

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
SCHEMBL28133942 0.84 REN (0.60) LTA4HNLNRENCYP3A4SLC7A5
SCHEMBL29971719 0.84 REN (0.60) LTA4HNLNRENCYP3A4SLC7A5
SCHEMBL27826956 0.81 AGTR2 (0.60) LTA4HNLNRENCYP3A4SLC7A5
SCHEMBL30184773 0.81 AGTR2 (0.60) LTA4HNLNRENCYP3A4SLC7A5
SCHEMBL11615061 0.81 CTSC (0.53) LTA4HNLNRENCYP3A4SLC7A5
SCHEMBL13563453 0.80 REN (0.72) REN
Bromide SCHEMBL27422846 0.79 REN (0.58) LTA4HREN
Phenylalanine SCHEMBL28074950 0.79 SLC7A5 (0.80) LTA4HNLNCYP3A4SLC7A5
SCHEMBL11472301 0.78 QPCT (0.50) RENCYP3A4SLC7A5
Hydrochloric Acid SCHEMBL27341574 0.77 REN (0.62) LTA4HREN

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
US-4221914-A ANTIHISTAMINES, HISTIDINE DECARBOXYLASE INHIBITORS MERRELL TORAUDE ET COMPAGNIE (FR) 1980-09-09 US disclosed