SCHEMBL5565845

SCHEMBL5565845

CCC(=O)N(C(=O)N1CCNCC1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.46
OPRM1 P35372 6/20 0.45
POLB P06746 1/20 0.42
TACR1 P25103 1/20 0.42
REN P00797 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
OPRD1 P41143 2/20 0.39
SLC22A1 O15245 1/20 0.39
NR1I2 O75469 1/20 0.39
ABCB1 P08183 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
MAOA P21397 1/20 0.39
DRD4 P21917 1/20 0.39
MAOB P27338 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39

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
SCHEMBL6694322 0.81 SIGMAR1 (0.50) SIGMAR1POLBRENRXFP1OPRD1
SCHEMBL7747319 0.78 SIGMAR1 (0.41) SIGMAR1POLBTACR1RENRXFP1
SCHEMBL7749574 0.77 OPRD1 (0.41) SIGMAR1OPRM1POLBTACR1REN
SCHEMBL4759640 0.77 GAA (0.58) SIGMAR1POLBRENRXFP1KMT2A
SCHEMBL5570991 0.77 SIGMAR1 (0.47) SIGMAR1OPRM1POLBRENOPRD1
SCHEMBL7388960 0.77 ALDH1A1 (0.61) SIGMAR1POLBTACR1RXFP1KMT2A
SCHEMBL7747270 0.77 SIGMAR1 (0.40) SIGMAR1POLBTACR1RENRXFP1
SCHEMBL7746739 0.76 ALDH1A1 (0.36) SIGMAR1OPRM1POLBTACR1REN
SCHEMBL4421969 0.76 TACR1 (0.53) SIGMAR1TACR1CHRM1CHRM3KMT2A
Hydrochloric Acid SCHEMBL4711746 0.76 GAA (0.57) SIGMAR1POLBRENRXFP1OPRD1

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
US-7262197-B2 Phospholipase C inhibitors for use in treating inflammatory disorders JANSSEN PHARMACEUTICA, N.V (BE) 2007-08-28 US disclosed