SCHEMBL5201159

SCHEMBL5201159

CC(c1ccc(Cl)cc1)C(CNC(=O)C1CCCO1)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
HPGD P15428 4/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL14064693 0.77 HPGD (0.51) HPGDGAAALDH1A1TDP1
SCHEMBL4829870 0.77 HPGD (0.51) HPGDGAAALDH1A1TDP1
SCHEMBL5476542 0.76 NFKB1 (0.39) HPGDGAASMN1; SMN2TSHRRAB9A
SCHEMBL5203464 0.76 ALDH1A1 (0.48) HPGDGAASMN1; SMN2ALDH1A1RAB9A
SCHEMBL5487436 0.76 HDAC6 (0.46) HPGDSMN1; SMN2TSHRRAB9ANPC1
SCHEMBL5203471 0.75 TP53 (0.43) HPGDGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL5200358 0.74 SMN1; SMN2 (0.41) HPGDGAASMN1; SMN2RAB9ANPC1
SCHEMBL4689271 0.74 RAB9A (0.48) HPGDGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL5479926 0.74 PRMT5 (0.42) HPGDGAASMN1; SMN2ALDH1A1LMNA
SCHEMBL5200515 0.74 MGLL (0.44) HPGDGAASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490043-A4 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO INC (US) 2007-05-30 EP claimed
EP-1490043-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-12-29 EP claimed
WO-2003082190-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-09 WO claimed
EP-1490043-A4 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO INC (US) 2007-05-30 EP disclosed
EP-1490043-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-12-29 EP disclosed
WO-2003082190-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-09 WO disclosed