SCHEMBL7599330

SCHEMBL7599330

Cn1c(N2CCCN(CCCCC3(OC(=O)NCC(F)(F)F)c4ccccc4-c4ccccc43)CC2)nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MTTP P55157 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

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
SCHEMBL7602628 0.92 FPR3 (0.40) FPR3ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL7599828 0.91 ALDH1A1 (0.41) FPR3ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL7602545 0.90 MAPT (0.45) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL7607632 0.89 DRD3 (0.38) LMNAMTTPCHRM2ADRA2AADORA3
SCHEMBL7601733 0.89 DRD3 (0.39) LMNAMTTPCHRM2ADRA2AADORA3
SCHEMBL7603486 0.88 ALDH1A1 (0.41) FPR3ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL7597657 0.88 MTTP (0.38) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7599425 0.88 MTTP (0.38) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6769795 0.88 MTTP (0.51) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7594407 0.87 ALDH1A1 (0.45) FPR3ALDH1A1LMNASMN1; SMN2KMT2A

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-1255736-A2 SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) Boehringer Ingelheim Pharma KG (DE) 2002-11-13 EP disclosed
WO-2001047898-A2 SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO disclosed