SCHEMBL7844261

SCHEMBL7844261

c1ccc(CCNC2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCP P55072 1/20 0.60
GRIN2B Q13224 6/20 0.59
TAAR1 Q96RJ0 1/20 0.55
DRD4 P21917 1/20 0.51
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
OPRM1 P35372 1/20 0.49
OPRL1 P41146 1/20 0.49
SIGMAR1 Q99720 3/20 0.49
GRIN1 Q05586 1/20 0.49
ME3 Q16798 1/20 0.48
MAPT P10636 1/20 0.48
HTR5A P47898 1/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46

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
SCHEMBL7897978 0.90 ME3 (0.62) VCPGRIN2BTAAR1DRD4SIGMAR1
SCHEMBL7902701 0.85 FOXM1 (0.53) VCPGRIN2BTAAR1DRD4ME3
SCHEMBL7841536 0.83 ACHE (0.66) VCPGRIN2BBCHEACHEBACE1
SCHEMBL662411 0.82 GRIN2B (0.76) GRIN2BTAAR1OPRM1OPRL1SIGMAR1
SCHEMBL24123852 0.82 ME3 (0.46) VCPHTR1AME3BCHEACHE
SCHEMBL22878525 0.82 GRIN2B (0.66) VCPGRIN2BTAAR1DRD4OPRM1
SCHEMBL17284578 0.82 GRIN2B (0.61) VCPGRIN2BTAAR1DRD4OPRM1
SCHEMBL4218912 0.82 GRIN2B (0.66) GRIN2BTAAR1DRD4OPRM1OPRL1
SCHEMBL7899005 0.82 ME3 (0.60) GRIN2BDRD4SIGMAR1GRIN1ME3
SCHEMBL7467264 0.81 ACHE (0.71) GRIN2BSIGMAR1HTR5ABCHEACHE

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 5 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
US-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
US-5891889-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-04-06 US disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed