SCHEMBL22167389

SCHEMBL22167389

CCCC1CCC(C2CC=C(c3cnc(-c4ccc(CC(NC(=O)c5ccc(C(C)C)cc5)C(=O)N5CC(C(=O)O)C5)cc4)nc3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.35
▸ MAPK11 Q15759 2/20 0.35
▸ PYGL P06737 1/20 0.34
▸ S1PR1 P21453 2/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ MC4R P32245 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ CTSL P07711 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ DDR1 Q08345 2/20 0.32
▸ DDR2 Q16832 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ F2 P00734 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ S1PR4 O95977 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ S1PR5 Q9H228 1/20 0.32
▸ CCR1 P32246 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
SCHEMBL17468520 1.00 MAPK14 (0.35) MAPK14MAPK11PYGLS1PR1ENPP2
SCHEMBL17532291 0.95 S1PR1 (0.36) MAPK14MAPK11PYGLS1PR1ENPP2
SCHEMBL22167480 0.95 S1PR1 (0.36) MAPK14MAPK11PYGLS1PR1ENPP2
SCHEMBL17532290 0.94 PYGL (0.33) MAPK14MAPK11PYGLS1PR1MC4R
SCHEMBL22167490 0.94 MAPK14 (0.34) MAPK14MAPK11S1PR1ENPP2MCHR1
SCHEMBL17532298 0.94 PYGL (0.33) MAPK14MAPK11PYGLMC4RCTSL
SCHEMBL17532289 0.94 S1PR4 (0.35) MAPK14MAPK11PYGLS1PR1MC4R
SCHEMBL22167228 0.94 S1PR4 (0.35) MAPK14MAPK11PYGLS1PR1MC4R
SCHEMBL22167489 0.93 S1PR4 (0.36) MAPK14MAPK11PYGLS1PR1DDR1
SCHEMBL17492911 0.93 S1PR4 (0.36) MAPK14MAPK11PYGLS1PR1DDR1

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-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 — — EP disclosed
Send feedback