SCHEMBL1132023

SCHEMBL1132023

C/C(=C\C(=O)O)c1nn(C2CCCCC2)c(-c2ccc(OCc3ccccc3)cc2)c1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
CMKLR1 Q99788 6/20 0.42
BTK Q06187 3/20 0.40
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTR3A P46098 2/20 0.38
MAOB P27338 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
KCNJ6 P48051 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37

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
SCHEMBL1131589 0.89 CNR1 (0.40) CNR1CMKLR1BTKKDM4EKMT2A
SCHEMBL1131499 0.87 CNR1 (0.48) CNR1KCNJ6KCNJ5KCNJ3
SCHEMBL1132025 0.82 PTPN1 (0.43) CNR1CMKLR1BTKKDM4EKMT2A
SCHEMBL1131971 0.82 CMKLR1 (0.41) CNR1CMKLR1BTKKDM4EKMT2A
SCHEMBL1131969 0.82 CMKLR1 (0.41) CNR1CMKLR1BTKKDM4EKMT2A
SCHEMBL1131277 0.80 MDM2 (0.48) CMKLR1BTKHTR3AHRH3
SCHEMBL1132022 0.79 CMKLR1 (0.41) CNR1CMKLR1BTKKDM4EKMT2A
SCHEMBL1131947 0.79 CNR1 (0.43) CNR1CMKLR1BTKKDM4EKMT2A
SCHEMBL1131696 0.78 KDM4E (0.43) CNR1CMKLR1BTKKDM4EKMT2A
SCHEMBL12860095 0.76 CNR1 (0.46) CNR1CMKLR1BTKKDM4EKCNJ6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663105-B1 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2011-02-16 EP claimed
EP-1663105-B1 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2011-02-16 EP disclosed