SCHEMBL3383512

SCHEMBL3383512

CC1(C)CCC(N[C@H]2C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.44
HSD17B10 Q99714 1/20 0.37
BTK Q06187 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HTRA1 Q92743 1/20 0.33
CYP2D6 P10635 1/20 0.32
MCHR1 Q99705 1/20 0.32
EPHX1 P07099 1/20 0.32
LMNA P02545 1/20 0.32
BLM P54132 1/20 0.32
NR1H2 P55055 1/20 0.32
EPHX2 P34913 1/20 0.32
NPC1 O15118 1/20 0.31

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
SCHEMBL3384307 1.00 CCR2 (0.44) CCR2HSD17B10BTKSMN1; SMN2CYP1A2
SCHEMBL1266962 0.90 CCR2 (0.44) CCR2CYP1A2POLBCYP3A4CYP2C19
SCHEMBL2306832 0.90 CCR2 (0.44) CCR2CYP1A2POLBCYP3A4CYP2C19
SCHEMBL3384262 0.89 CCR2 (0.45) CCR2HSD17B10BTKSMN1; SMN2CYP1A2
SCHEMBL4311053 0.87 BTK (0.48) CCR2HSD17B10BTKSMN1; SMN2CYP1A2
SCHEMBL4311050 0.87 BTK (0.48) CCR2HSD17B10BTKSMN1; SMN2CYP1A2
SCHEMBL4311057 0.87 BTK (0.48) CCR2HSD17B10BTKSMN1; SMN2CYP1A2
SCHEMBL3420732 0.87 CCR2 (0.42) CCR2HSD17B10BTKSMN1; SMN2CYP1A2
SCHEMBL3382254 0.85 CCR2 (0.39) CCR2HSD17B10BTKSMN1; SMN2CYP1A2
SCHEMBL3382246 0.85 CCR2 (0.39) CCR2HSD17B10BTKSMN1; SMN2CYP1A2

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