SCHEMBL7845352

SCHEMBL7845352

NC1CCN(c2ccccc2)CC1.O=C1CCN(c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBTD1 Q05BQ5 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GFER P55789 1/20 0.46
NOTUM Q6P988 1/20 0.44
ACHE P22303 3/20 0.43
GRIN2B Q13224 1/20 0.42
VCP P55072 1/20 0.42
CHRM3 P20309 1/20 0.41
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40
HTR3A P46098 2/20 0.40
HTR3D Q70Z44 2/20 0.40
HTR3C Q8WXA8 2/20 0.40
ADRB1 P08588 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
LMNA P02545 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
SCHEMBL931643 0.87 MBTD1 (0.57) MBTD1L3MBTL3L3MBTL1GFERNOTUM
Hydrochloric Acid SCHEMBL17927700 0.85 MBTD1 (0.55) MBTD1L3MBTL3L3MBTL1GFERNOTUM
Hydrochloric Acid SCHEMBL17748967 0.85 MBTD1 (0.55) MBTD1L3MBTL3L3MBTL1GFERNOTUM
SCHEMBL532107 0.85 LMNA (0.52) GRIN2BHTR3EHTR3BHTR3AHTR3D
Ethylene SCHEMBL3717036 0.81 LMNA (0.48) GRIN2BHTR3EHTR3BHTR3AHTR3D
SCHEMBL14275856 0.80 L3MBTL1 (0.55) MBTD1L3MBTL3L3MBTL1GFERNOTUM
SCHEMBL3185733 0.78 HSD17B10 (0.46) MBTD1L3MBTL3L3MBTL1HTR3EHTR3B
SCHEMBL7845356 0.76 ALDH1A1 (0.45) MBTD1L3MBTL3L3MBTL1ALOX15
SCHEMBL11387902 0.76 L3MBTL1 (0.42) MBTD1L3MBTL3L3MBTL1GFERVCP
SCHEMBL314421 0.76 NOTUM (0.55) MBTD1L3MBTL3L3MBTL1GFERNOTUM

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-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed