SCHEMBL1768630

SCHEMBL1768630

CN1CCCC1CCNS(=O)(=O)N(C)C[C@H](N)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ACKR3 P25106 3/20 0.35
METAP2 P50579 4/20 0.34
GLS O94925 1/20 0.33
APP P05067 1/20 0.33
CHRM3 P20309 3/20 0.33
SLC2A1 P11166 1/20 0.32
XPNPEP1 Q9NQW7 1/20 0.32

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
SCHEMBL13585045 0.89 ALDH1A1 (0.34) CHRM4ALDH1A1ACKR3METAP2APP
SCHEMBL13585047 0.84 ACE (0.35) CHRM4ALDH1A1ACKR3METAP2APP
SCHEMBL27872429 0.82 CHRNB2 (0.34) CHRM4ALDH1A1ACKR3CHRM3XPNPEP1
SCHEMBL1769501 0.75 CHRNB2 (0.33) ACKR3CHRM3
SCHEMBL27888847 0.75 CHRNB2 (0.33) ACKR3CHRM3
SCHEMBL13584651 0.74 PMP22 (0.35) ACKR3CHRM3
SCHEMBL27888818 0.74 PMP22 (0.35) ACKR3CHRM3
SCHEMBL25660550 0.73 CYP1A2 (0.45) CHRM3
SCHEMBL25662234 0.73 CYP1A2 (0.45) CHRM3
SCHEMBL1768754 0.70 ACE (0.37) CHRM4ALDH1A1ACKR3CHRM3

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-2501715-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY Polyphor Ag (CH) 2012-09-26 EP disclosed
WO-2011060937-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY POLYPHOR AG (CH) 2011-05-26 WO disclosed