SCHEMBL7597253

SCHEMBL7597253

O=C(NCC(F)(F)F)OC1(CCCCN2CCCN(c3nc4ccccc4s3)CC2)c2ccccc2Oc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.41
HTR2A P28223 4/20 0.41
SLC6A4 P31645 4/20 0.41
HTR7 P34969 4/20 0.41
DRD2 P14416 4/20 0.41
HTR1A P08908 3/20 0.41
HTR2C P28335 3/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HRH1 P35367 2/20 0.41
TP53 P04637 1/20 0.41
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 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
SCHEMBL7607955 0.97 NPC1 (0.42) DRD3HTR2ASLC6A4HTR7DRD2
SCHEMBL6770501 0.89 MTTP (0.43) DRD3HTR2ASLC6A4HTR7DRD2
SCHEMBL7598388 0.86 NPC1 (0.44) DRD3DRD2POLBSMN1; SMN2TP53
SCHEMBL7600196 0.86 DRD3 (0.44) DRD3HTR2ASLC6A4HTR7DRD2
SCHEMBL6772766 0.86 MTTP (0.45) DRD3HTR2ASLC6A4HTR7DRD2
SCHEMBL7602628 0.85 FPR3 (0.40) SMN1; SMN2LMNAMAPTFPR3MEN1
SCHEMBL7600150 0.83 MAPT (0.46) DRD3HTR2ASLC6A4HTR7DRD2
SCHEMBL6775827 0.82 MTTP (0.51) DRD3HTR2ASLC6A4HTR7DRD2
SCHEMBL7603486 0.82 ALDH1A1 (0.41) SMN1; SMN2LMNAMAPTFPR3MEN1
SCHEMBL7608953 0.81 DRD3 (0.38) DRD3HTR2ASLC6A4DRD2HTR1A

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