SCHEMBL8484684

SCHEMBL8484684

CCCCC1(C(=O)NCC(F)(F)F)C(C)=C(N2CCC(N3Cc4ccccc4C3=O)CC2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTTP P55157 7/20 0.43
MTR Q99707 2/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN1A P35498 3/20 0.38
SCN5A Q14524 3/20 0.38
SCN9A Q15858 3/20 0.38

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
SCHEMBL8666053 0.95 MTTP (0.42) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL8503626 0.92 MTTP (0.44) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL8717828 0.85 MTTP (0.41) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL8666040 0.83 MTTP (0.40) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL6187526 0.81 MTTP (0.58) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL8483375 0.81 MTR (0.38) MTRSCN1ASCN5ASCN9A
SCHEMBL8503020 0.79 MTTP (0.42) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL8903324 0.78 MTTP (0.54) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL6187970 0.77 MTTP (0.47) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL6601007 0.76 MTTP (0.51) MTTPMTRCHRM2ADRA2AADORA3

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
US-5883099-A TREATMENT OF ATHERSCLEROSIS, PANCREATITIS OBESITY OR HYPERGLYCEMIA BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-16 US disclosed
US-5739135-A PREVENTING OR TREATING ATHEROSCLEROSIS, PANCREATITIS SECONDARY TO HYPERTRIGLYCERIDEMIA, HYPERGLYCEMIA, OBESITY BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-14 US disclosed