SCHEMBL6678660

SCHEMBL6678660

CC(=O)NCCN1CCc2cc(NC(=O)Oc3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APOB P04114 9/20 0.45
▸ MTTP P55157 8/20 0.45
▸ POLB P06746 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ DRD2 P14416 2/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACACB O00763 1/20 0.40

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
Hydrochloric Acid SCHEMBL8529712 0.99 APOB (0.44) APOBMTTPPOLBHSD17B10DRD2
SCHEMBL691418 0.86 MTTP (0.59) APOBMTTPKDM4EMAPT
Hydrochloric Acid SCHEMBL3887925 0.85 MTTP (0.59) APOBMTTPKDM4EMAPT
Hydrochloric Acid SCHEMBL8408661 0.85 MTTP (0.59) APOBMTTPKDM4EMAPT
SCHEMBL6974835 0.85 ABCB1 (0.48) APOBMTTPDRD2DRD3MEN1
Hydrochloric Acid SCHEMBL8410108 0.85 MTTP (0.58) APOBMTTPKDM4EMAPT
SCHEMBL6964486 0.85 PLAU (0.46) APOBMTTPKMT2AMAPTPRMT5
SCHEMBL6973499 0.84 SMO (0.45) APOBMTTPACACB
SCHEMBL6676927 0.83 POLB (0.43) POLBHSD17B10DRD2DRD3MEN1
SCHEMBL6974444 0.82 KDM4E (0.44) APOBMTTPPOLBHSD17B10ALOX15

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-1465613-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-10-13 — — EP disclosed
WO-2003057205-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-07-17 — — WO disclosed
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