SCHEMBL3384262

SCHEMBL3384262

CC(C)(C)OC(=O)N1C[C@@H](NC2CCC(F)(F)CC2)C[C@H]1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.45
HSD17B10 Q99714 1/20 0.36
BTK Q06187 1/20 0.35
IDH1 O75874 2/20 0.35
IDH2 P48735 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTRA1 Q92743 1/20 0.34
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX2 P34913 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
IL1B P01584 2/20 0.32
P2RX7 Q99572 2/20 0.32
EPHX1 P07099 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
SCHEMBL2309467 0.91 CCR2 (0.45) CCR2IDH1IDH2CYP1A2POLB
SCHEMBL3383512 0.89 CCR2 (0.44) CCR2HSD17B10BTKSMN1; SMN2HTRA1
SCHEMBL3384307 0.89 CCR2 (0.44) CCR2HSD17B10BTKSMN1; SMN2HTRA1
SCHEMBL4311050 0.86 BTK (0.48) CCR2HSD17B10BTKSMN1; SMN2HTRA1
SCHEMBL4311053 0.86 BTK (0.48) CCR2HSD17B10BTKSMN1; SMN2HTRA1
SCHEMBL4311057 0.86 BTK (0.48) CCR2HSD17B10BTKSMN1; SMN2HTRA1
SCHEMBL3420732 0.86 CCR2 (0.42) CCR2HSD17B10BTKSMN1; SMN2HTRA1
SCHEMBL3382254 0.84 CCR2 (0.39) CCR2HSD17B10BTKSMN1; SMN2HTRA1
SCHEMBL3382246 0.84 CCR2 (0.39) CCR2HSD17B10BTKSMN1; SMN2HTRA1
SCHEMBL5133167 0.84 CCR2 (0.39) CCR2HSD17B10BTKSMN1; SMN2HTRA1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350060-B1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD (KR) 2013-09-18 EP disclosed
US-8288386-B2 Melanocortin receptor agonists LG LIFE SCIENCES LTD. (KR) 2012-10-16 US disclosed
US-8236955-B2 Melanocortin receptor agonists LG LIFE SCIENCES LTD. (KR) 2012-08-07 US disclosed
US-8183243-B2 Melanocortin receptor agonists LG LIFE SCIENCES LTD. (KR) 2012-05-22 US disclosed
WO-2010056022-A2 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2010-05-20 WO disclosed