SCHEMBL6600770

SCHEMBL6600770

c1cn(CCN2CCC[N]CC2)cn1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.49
TBXAS1 P24557 3/20 0.44
EGLN3 Q9H6Z9 1/20 0.39
CYP2B6 P20813 1/20 0.38
ALOX15 P16050 1/20 0.37
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
QPCT Q16769 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
CYP19A1 P11511 1/20 0.35
PRKCI P41743 1/20 0.35

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
SCHEMBL4744809 0.93 TBXAS1 (0.50) ACHETBXAS1EGLN3CYP2B6QPCT
SCHEMBL11011577 0.86 ACHE (0.60) ACHETBXAS1EGLN3CYP2B6FPR3
SCHEMBL8699805 0.84 ACHE (0.59) ACHETBXAS1EGLN3CYP2B6ALOX15
SCHEMBL6607188 0.83 TBXAS1 (0.57) ACHETBXAS1QPCTCYP19A1PRKCI
Hydrochloric Acid SCHEMBL28306929 0.82 ACHE (0.57) ACHETBXAS1EGLN3CYP2B6ALOX15
SCHEMBL6593644 0.75 HRH3 (0.42) SIGMAR1
SCHEMBL4758301 0.75 TBXAS1 (0.50) ACHETBXAS1EGLN3
SCHEMBL8510756 0.75 TBXAS1 (0.50) ACHETBXAS1EGLN3PRKCI
SCHEMBL19596990 0.74 ACHE (0.64) ACHETBXAS1CYP2B6ALOX15FPR3
SCHEMBL591937 0.74 TBXAS1 (0.48) ACHETBXAS1EGLN3QPCTCYP19A1

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-1373252-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT Aventis Pharma S.A. (FR) 2004-01-02 EP disclosed
WO-2002076975-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT AVENTIS PHARMA S.A. (FR) 2002-10-03 WO disclosed