SCHEMBL7848293

SCHEMBL7848293

N#Cc1ccc(Cn2cncc2CN2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 9/20 0.61
FNTA P49354 8/20 0.60
FNTB P49356 8/20 0.60
PGGT1B P53609 6/20 0.60
OPRM1 P35372 8/20 0.59
OPRD1 P41143 8/20 0.59
OPRK1 P41145 8/20 0.59
NRAS P01111 1/20 0.52
HRAS P01112 1/20 0.52
DRD4 P21917 3/20 0.51
DRD2 P14416 2/20 0.51
DRD3 P35462 2/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51

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
SCHEMBL7842322 0.91 FNTA (0.49) OPRL1FNTAFNTBPGGT1BOPRM1
SCHEMBL7839252 0.90 FNTA (0.54) OPRL1FNTAFNTBPGGT1BOPRM1
SCHEMBL16718977 0.84 OPRL1 (0.53) OPRL1OPRM1OPRD1OPRK1DRD4
SCHEMBL16718978 0.84 OPRL1 (0.53) OPRL1OPRM1OPRD1OPRK1DRD4
SCHEMBL7844152 0.78 FNTA (0.56) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL7840456 0.78 FNTA (0.56) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL7847623 0.76 OPRL1 (1.00) OPRL1OPRM1OPRD1OPRK1DRD4
SCHEMBL7831091 0.76 FNTA (0.60) FNTAFNTBPGGT1BNRASHRAS
Hydrochloric Acid SCHEMBL7991896 0.76 FNTA (0.59) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL7842924 0.75 FNTA (0.60) FNTAFNTBPGGT1BNRASHRAS

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
US-6172076-B1 HETEROCYCLE-SUBSTITUTED 1,3,8-TRIAZASPIRO(4,5)DECANE DERIVATIVES; TREATING ARTERIOSCLEROSIS MERCK & CO., INC. 2001-01-09 US claimed
EP-1087770-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-11-14 EP disclosed
EP-1087770-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-04 EP disclosed
US-6172076-B1 HETEROCYCLE-SUBSTITUTED 1,3,8-TRIAZASPIRO(4,5)DECANE DERIVATIVES; TREATING ARTERIOSCLEROSIS MERCK & CO., INC. 2001-01-09 US disclosed
WO-1999065494-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-12-23 WO disclosed