SCHEMBL9770952

SCHEMBL9770952

O=[C]C(Cc1cccnc1)Cc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.54
NAPRT Q6XQN6 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 1/20 0.47
CHRNA7 P36544 2/20 0.46
KDM4E B2RXH2 1/20 0.45
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
TBXAS1 P24557 3/20 0.43
CYP2A6 P11509 1/20 0.43
RECQL P46063 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL694048 0.81 FDPS (0.51) FDPSNAPRTCYP1A2CYP2D6CHRNA7
SCHEMBL1696723 0.81 FDPS (0.51) FDPSNAPRTCYP1A2CYP2D6CHRNA7
SCHEMBL2264768 0.81 FDPS (0.51) FDPSNAPRTCYP1A2CYP2D6CHRNA7
SCHEMBL9751597 0.79 FDPS (0.49) FDPSNAPRTCYP1A2CYP2D6CHRNB2
SCHEMBL1697450 0.74 CYP1A2 (0.48) CYP1A2CYP2A6
SCHEMBL28748304 0.74 KDM4E (0.50) FDPSNAPRTCYP1A2KDM4ETBXAS1
SCHEMBL27652212 0.74 FDPS (0.55) FDPSNAPRTCYP1A2CYP2D6CHRNA7
SCHEMBL103883 0.74 FDPS (0.55) FDPSCYP1A2CYP2D6CHRNA7CHRNB2
SCHEMBL272334 0.74
SCHEMBL9547411 0.74 FDPS (0.59) FDPSNAPRTCYP1A2CYP2D6CHRNA7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5045537-A Treating Diseases Caused by Retroviruses SANDOZ LTD. (CH) 1991-09-03 US disclosed
EP-0387309-A1 RENIN INHIBITORS, PROCESS FOR PRODUCING THEM AND USE THEREOF SANDOZ AG (CH) 1990-09-19 EP disclosed
WO-1989010917-A2 RENIN INHIBITORS, PROCESS FOR PRODUCING THEM AND USE THEREOF SANDOZ AG (CH) 1989-11-16 WO disclosed