SCHEMBL9230320

SCHEMBL9230320

O=C1Nc2cccnc2C2(c3ccccc3)OCCN12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.38
OTUD7B Q6GQQ9 2/20 0.35
OPRM1 P35372 7/20 0.34
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BRD4 O60885 1/20 0.32
GSK3B P49841 3/20 0.32
PRKCB P05771 1/20 0.32

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
SCHEMBL9231150 0.87 OPRL1 (0.35) OPRL1OTUD7BOPRM1NPC1POLB
SCHEMBL9230707 0.86 AKR1C3 (0.38) OPRL1OTUD7BCYP1A2BRD4
SCHEMBL9231629 0.81 LMNA (0.42) NPC1POLBCYP2D6TSHRSMN1; SMN2
SCHEMBL9231680 0.80 CCR1 (0.33) OPRL1OTUD7BOPRM1NPC1L3MBTL1
SCHEMBL9231434 0.80 L3MBTL1 (0.34) OTUD7BL3MBTL1SMN1; SMN2
SCHEMBL9231114 0.77 AKR1C3 (0.42) OPRL1OPRM1NPC1POLB
SCHEMBL9225797 0.77 OPRL1 (0.35) OPRL1OPRM1NPC1POLBCYP2D6
SCHEMBL9232019 0.74 ALDH1A1 (0.40) OPRL1OPRM1NPC1POLBTSHR
SCHEMBL9042112 0.74 OPRL1 (0.33) OPRL1OTUD7BOPRM1NPC1POLB
SCHEMBL11842992 0.74 BRD4 (0.40) POLBCYP1A2SMN1; SMN2BRD4

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-0640087-A1 USE OF TRICYCLIC PYRIMIDINE DERIVATIVES AS ANTI-VIRAL MEDICAMENTS Roche Diagnostics GmbH (DE) 1995-03-01 EP disclosed
WO-1993023405-A1 USE OF TRICYCLIC PYRIMIDINE DERIVATIVES AS ANTI-VIRAL MEDICAMENTS BOEHRINGER MANNHEIM GMBH (DE) 1993-11-25 WO disclosed