SCHEMBL8322886

SCHEMBL8322886

C1CCN=C(NC2CCCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1A P35348 1/20 0.44
POLB P06746 2/20 0.43
CYP2D6 P10635 2/20 0.42
NISCH Q9Y2I1 1/20 0.41
GAA P10253 3/20 0.41
GFER P55789 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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 SCHEMBL8852562 0.98 GAA (0.43) ADRA2AADRA2BADRA2CADRA1APOLB
SCHEMBL17887757 0.94 NISCH (0.47) ADRA2AADRA2BADRA2CADRA1APOLB
SCHEMBL9056993 0.94 NISCH (0.47) ADRA2AADRA2BADRA2CADRA1APOLB
Hydrochloric Acid SCHEMBL8327692 0.92 NISCH (0.46) ADRA2AADRA2BADRA2CADRA1APOLB
SCHEMBL17887578 0.76 NISCH (0.43) ADRA2AADRA2BADRA2CNISCHGAA
SCHEMBL17887813 0.76 NISCH (0.43) ADRA2AADRA2BADRA2CNISCHGAA
SCHEMBL17887666 0.76 PIM1 (0.41) ADRA2AADRA2BADRA2CADRA1ANISCH
SCHEMBL11010223 0.69
SCHEMBL16362113 0.69 CYP2D6 (0.47) POLBCYP2D6GAAGFERALOX15
SCHEMBL25400969 0.67 KDM4E (0.43) ADRA2AADRA2BADRA2CADRA1AGAA

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-0789571-A4 CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO INC (US) 1999-04-14 EP claimed
EP-0789571-A1 CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE Merck & Co., Inc. (US) 1997-08-20 EP claimed
WO-1996014844-A1 CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-05-23 WO claimed
EP-0069295-B1 PROCESS FOR THE MANUFACTURE OF POSSIBLY CELLULAR POLYURETHANE OR POLYURETHANE-POLYUREA MOULDED ARTICLES BASF Aktiengesellschaft (DE) 1986-05-21 EP disclosed
EP-0069295-A1 Process for the manufacture of possibly cellular polyurethane or polyurethane-polyurea moulded articles BASF Aktiengesellschaft (DE) 1983-01-12 EP disclosed