SCHEMBL20763587

SCHEMBL20763587

NC1CCc2c(Br)ccc(Cl)c21

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IL1RN P18510 2/20 0.50
ERAP2 Q6P179 2/20 0.50
ERAP1 Q9NZ08 2/20 0.50
ANPEP P15144 2/20 0.40

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
SCHEMBL18116894 0.84 IL1RN (0.35) IL1RNERAP2ERAP1
SCHEMBL16290376 0.78 DRD2 (0.39) IL1RNERAP2ERAP1ANPEP
SCHEMBL30239732 0.78 IL1RN (0.50) IL1RNERAP2ERAP1ANPEP
SCHEMBL20185074 0.78 IL1RN (0.50) IL1RNERAP2ERAP1ANPEP
SCHEMBL16290564 0.70 DRD2 (0.35) IL1RNERAP2ERAP1
SCHEMBL19418730 0.70 ANO1 (0.36)
SCHEMBL31690293 0.68 ADRA2A (0.31) IL1RNERAP2ERAP1
SCHEMBL16395441 0.65 HTR2C (0.45) IL1RNERAP2ERAP1ANPEP
SCHEMBL16395308 0.65 HTR2C (0.45) IL1RNERAP2ERAP1ANPEP
SCHEMBL1879560 0.65 IL1RN (0.49) IL1RNERAP2ERAP1ANPEP

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
EP-3668859-A1 SOLID FORMS OF AN HIV CAPSID INHIBITOR Gilead Sciences, Inc. (US) 2020-06-24 EP disclosed
WO-2019035904-A1 SOLID FORMS OF AN HIV CAPSID INHIBITOR GILEAD SCIENCES, INC. (US) 2019-02-21 WO disclosed