SCHEMBL7609769

SCHEMBL7609769

O=C(NCC(F)(F)F)OC1(CCCCN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTTP P55157 3/20 0.49
CHRM2 P08172 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD1 P21728 1/20 0.49
TBXA2R P21731 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRM1 P35372 1/20 0.49
DRD3 P35462 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KCNH2 Q12809 1/20 0.49
MTR Q99707 1/20 0.49
SIGMAR1 Q99720 2/20 0.46
EPHX2 P34913 2/20 0.43
PRKAB2 O43741 2/20 0.42
PRKAG1 P54619 2/20 0.42
PRKAA2 P54646 2/20 0.42

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
SCHEMBL6678861 0.89 MTTP (0.50) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7720590 0.88 MTTP (0.50) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7048466 0.86 MTTP (0.64) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6680126 0.84 MTTP (0.41) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7605238 0.83 MEN1 (0.48) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6675771 0.83 SIGMAR1 (0.45) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7611646 0.83 MTTP (0.42) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7603311 0.83 MTTP (0.44) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7719553 0.82 SMN1; SMN2 (0.46) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7606909 0.82 KDM4E (0.45) MTTPCHRM2ADRA2AADORA3CHRM1

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-1259492-A1 SUBSTITUTED PIPERAZINE DERIVATIVES AS MTP INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-11-27 EP disclosed
WO-2001047899-A1 SUBSTITUTED PIPERAZINE DERIVATIVES AS MTP INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO disclosed