SCHEMBL27563370

SCHEMBL27563370

C[C@H](NC(=O)c1c(CN2CCN(NC(=O)c3ccccc3C(=O)O)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 18/20 0.75
TACR3 P29371 17/20 0.75
OPRM1 P35372 9/20 0.75
TRPV4 Q9HBA0 3/20 0.56

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
SCHEMBL6852993 0.90 TACR2 (0.79) TACR2TACR3OPRM1TRPV4
SCHEMBL28773316 0.87 TACR2 (0.85) TACR2TACR3OPRM1TRPV4
SCHEMBL6851688 0.86 TACR2 (0.84) TACR2TACR3OPRM1TRPV4
SCHEMBL27563368 0.85 TACR2 (0.74) TACR2TACR3OPRM1TRPV4
SCHEMBL5467567 0.85 TACR2 (0.84) TACR2TACR3OPRM1TRPV4
SCHEMBL5908966 0.85 TACR2 (0.81) TACR2TACR3OPRM1TRPV4
SCHEMBL5437389 0.85 TACR2 (0.84) TACR2TACR3OPRM1TRPV4
SCHEMBL27724854 0.84 TACR2 (1.00) TACR2TACR3OPRM1TRPV4
SCHEMBL5931147 0.84 TACR2 (1.00) TACR2TACR3OPRM1TRPV4
SCHEMBL6852954 0.84 TACR2 (0.78) TACR2TACR3OPRM1TRPV4

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
CN-1407850-A Process for converting storage reserves of dicot seeds into compositions comprising one or more gene products UNICROP LTD (FI) 2003-04-02 CN disclosed
CN-1406225-A Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists GLAXO SMITHKLINE S P A (IT) 2003-03-26 CN disclosed