SCHEMBL20844680

SCHEMBL20844680

CC[C@@H](N)c1cccc(I)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 3/20 0.41
▸ TACR1 P25103 1/20 0.40
▸ IDO1 P14902 2/20 0.37
▸ CYP2D6 P10635 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ ANPEP P15144 1/20 0.36
▸ ENPEP Q07075 1/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ THPO P40225 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ LMNA P02545 1/20 0.33

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
SCHEMBL11977597 1.00 SLC6A4 (0.41) SLC6A4TACR1IDO1CYP2D6CYP3A4
SCHEMBL20844683 1.00 SLC6A4 (0.41) SLC6A4TACR1IDO1CYP2D6CYP3A4
SCHEMBL5712566 0.85 SLC6A4 (0.48) SLC6A4ANPEPENPEPLMNA
SCHEMBL11664457 0.82 TACR1 (0.41) SLC6A4TACR1IDO1CYP2D6CYP3A4
SCHEMBL20844633 0.80 TACR1 (0.40) SLC6A4TACR1IDO1CYP2D6CYP3A4
SCHEMBL7241495 0.80 TACR1 (0.40) SLC6A4TACR1IDO1CYP2D6CYP3A4
SCHEMBL27557391 0.79 SLC6A3 (0.38) SLC6A4TACR1IDO1CYP2D6CYP3A4
SCHEMBL4172487 0.78 AOC3 (0.45) SLC6A4TACR1IDO1ANPEPENPEP
SCHEMBL9439972 0.78 CYP3A4 (0.44) SLC6A4CYP2D6CYP3A4SLC6A2SLC6A3
SCHEMBL20844635 0.78 SLC6A4 (0.42) SLC6A4CYP3A4ANPEPENPEPHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021072156-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 — — WO disclosed
WO-2019057946-A1 MULTI-CYCLIC AROMATIC COMPOUNDS AS FACTOR D INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-03-28 — — WO disclosed
Send feedback