SCHEMBL5203070

SCHEMBL5203070

CC(c1ccc(Cl)cc1)C(CNC1(C(N)=O)CCCCC1)c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.38
TACR1 P25103 1/20 0.38
OPRL1 P41146 3/20 0.38
SLC6A4 P31645 6/20 0.37
SLC6A2 P23975 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 2/20 0.36
TP53 P04637 1/20 0.36
SLC6A3 Q01959 5/20 0.36
HDAC4 P56524 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL5203716 0.99 OPRL1 (0.38) TACR2TACR1OPRL1SLC6A4SLC6A2
SCHEMBL5202986 0.78 KMT2A (0.40) SLC6A4SLC6A2TP53HDAC4SMN1; SMN2
SCHEMBL5205537 0.77 HDAC4 (0.42) SLC6A4SLC6A2ALDH1A1TP53HDAC4
SCHEMBL5202845 0.73 TRPV1 (0.40) GAA
SCHEMBL5200534 0.71 DRD2 (0.39) SMN1; SMN2MEN1KMT2AGAARAB9A
SCHEMBL5205476 0.69 SLC6A2 (0.36) SLC6A4SLC6A2ALDH1A1CYP2D6SLC6A3
SCHEMBL5266049 0.69 RAB9A (0.60) ALDH1A1TP53SMN1; SMN2MEN1KMT2A
SCHEMBL4689271 0.68 RAB9A (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL5202582 0.68 MEN1 (0.38) ALDH1A1TP53SMN1; SMN2MEN1KMT2A
SCHEMBL5203380 0.68 HDAC4 (0.42) SLC6A4SLC6A2CYP2D6TP53SLC6A3

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 3 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 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