SCHEMBL7533880

SCHEMBL7533880

O=C(CCCCNC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1)c1nc2ccccc2o1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 20/20 0.52

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
SCHEMBL7531275 0.85 TACR2 (0.49) TACR2
SCHEMBL7533012 0.82 FAAH (0.45)
SCHEMBL7530247 0.82 FAAH (0.44)
SCHEMBL7528389 0.81 MAPT (0.42) TACR2
SCHEMBL7535321 0.80 FAAH (0.43)
SCHEMBL7536597 0.80 FAAH (0.43)
SCHEMBL7530914 0.80 FAAH (0.43)
SCHEMBL7535950 0.80 CTSL (0.49)
SCHEMBL7531990 0.79 ALDH1A1 (0.45)
SCHEMBL7529866 0.79 FAAH (0.43) TACR2

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-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO claimed
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO disclosed