SCHEMBL8593680

SCHEMBL8593680

CCCCc1c(N2CCCCC2)ccc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ DRD2 P14416 3/20 0.37
▸ DRD4 P21917 3/20 0.37
▸ DRD3 P35462 3/20 0.37
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL8627056 0.91 POLB (0.39) POLBDRD2DRD4DRD3PSEN1
SCHEMBL8480929 0.89 DRD2 (0.44) POLBDRD2DRD4DRD3ALDH1A1
SCHEMBL8593675 0.86 POLB (0.41) POLBDRD2DRD4DRD3PSEN1
SCHEMBL8712881 0.85 POLB (0.35) POLBDRD2DRD4DRD3
SCHEMBL8485778 0.85 NPY1R (0.37) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL8713182 0.85 CKS1B (0.38) POLBDRD2DRD4DRD3ALDH1A1
SCHEMBL8501237 0.85 MTTP (0.36) POLBDRD2DRD4DRD3PSEN1
SCHEMBL8500999 0.84 CTSL (0.37) POLBDRD2DRD4DRD3PSEN1
SCHEMBL8665881 0.84 DRD2 (0.37) POLBDRD2DRD4DRD3NPSR1
SCHEMBL8502233 0.83 GAA (0.34) POLBDRD2DRD4DRD3PSEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0886637-A4 — — 1998-12-30 — — EP disclosed
EP-0886637-A1 INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1998-12-30 — — EP disclosed
US-5712279-A Inhibitors of microsomal triglyceride transfer protein and method BRISTOL-MYERS SQUIBB COMPANY (US) 1998-01-27 — — US disclosed
Send feedback