SCHEMBL8200629

SCHEMBL8200629

CCCC1CCc2c(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc2C1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.45
TMPRSS4 Q9NRS4 1/20 0.45
CCR2 P41597 5/20 0.43
TACR1 P25103 8/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
P2RX7 Q99572 1/20 0.41
MLYCD O95822 1/20 0.41
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MTOR P42345 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
SCHEMBL8205119 0.86 CCR2 (0.45) P2RX1TMPRSS4CCR2TACR1LMNA
SCHEMBL8200050 0.83 CCR2 (0.55) CCR2TACR1
SCHEMBL8199839 0.74 MLYCD (0.45) P2RX1TMPRSS4CCR2HPGDMLYCD
SCHEMBL8198484 0.70 HTR2C (0.42) CCR2
SCHEMBL8199345 0.70 CCR2 (0.46) P2RX1TMPRSS4CCR2TACR1P2RX7
SCHEMBL6866336 0.70 CHRNB2 (0.68) P2RX1TMPRSS4TACR1HTT
SCHEMBL16088678 0.69 P2RX1 (0.57) P2RX1TMPRSS4TACR1LMNAHPGD
SCHEMBL16127840 0.68 KMT2A (0.65) P2RX1TMPRSS4TACR1MLYCDMTOR
SCHEMBL6862802 0.68 TACR1 (0.61) P2RX1TMPRSS4TACR1LMNAHPGD
SCHEMBL16128007 0.68 P2RX1 (0.55) P2RX1TMPRSS4TACR1LMNAHPGD

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
WO-1998036749-A1 TETRALONE DERIVATIVES AS ANTIARRHYTHMIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-08-27 WO claimed
US-6048877-A Tetralone derivatives as antiarrhythmic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2000-04-11 US disclosed