SCHEMBL1401529

SCHEMBL1401529

CN(C)CC1CCCN(C(=O)C(Cc2ccccc2)N(C)C(=O)C(Cc2ccc3ccccc3c2)N(C)C(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.42
GHSR Q92847 2/20 0.38
OPRD1 P41143 1/20 0.37
BCHE P06276 1/20 0.37
YAP1 P46937 2/20 0.37
ADORA1 P30542 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
SCHEMBL1401193 1.00 TACR1 (0.42) TACR1GHSROPRD1BCHEYAP1
SCHEMBL1401195 1.00 TACR1 (0.42) TACR1GHSROPRD1BCHEYAP1
SCHEMBL1401157 0.91 P2RX7 (0.41) TACR1GHSROPRD1YAP1ADORA1
SCHEMBL1401233 0.90 MAPK1 (0.42) BCHEYAP1ADORA1
SCHEMBL1401232 0.90 MAPK1 (0.42) BCHEYAP1ADORA1
SCHEMBL1401118 0.86 TACR1 (0.45) TACR1
SCHEMBL1401165 0.85 GHSR (0.50) TACR1GHSR
SCHEMBL1401168 0.85 GHSR (0.50) TACR1GHSR
SCHEMBL1401167 0.85 GHSR (0.50) TACR1GHSR
SCHEMBL1401110 0.84 TACR1 (0.42) TACR1

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
EP-1100824-B1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2011-03-02 EP disclosed