SCHEMBL12533763

SCHEMBL12533763

c1cncc(C2CC(c3cccnc3)CC(c3cccnc3)CC(c3cccnc3)C2)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.67
CYP2A6 P11509 3/20 0.61
CHRNB2 P17787 7/20 0.55
CHRNA4 P43681 6/20 0.55
CHRNA7 P36544 7/20 0.52
CHRNA3 P32297 1/20 0.50
OPRM1 P35372 1/20 0.49
OPRL1 P41146 1/20 0.49
MEN1 O00255 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL12533764 1.00 CYP11B2 (0.67) CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7
SCHEMBL12533767 1.00 CYP11B2 (0.67) CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7
SCHEMBL12533759 1.00 CYP11B2 (0.67) CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7
SCHEMBL12533770 0.94 CYP11B2 (0.60) CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7
SCHEMBL12533773 0.92 CYP11B2 (0.58) CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7
SCHEMBL12533772 0.92 CYP11B2 (0.58) CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7
SCHEMBL990213 0.86
SCHEMBL29848157 0.86
Ammonia Solution, Strong SCHEMBL28985148 0.84 CYP11B2 (0.77) CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7
SCHEMBL5937528 0.82 CYP11B2 (0.53) CYP11B2CYP2A6CHRNB2CHRNA4CHRNA7

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
US-7955718-B2 Organic EL element and process for manufacture of organic EL element TDK CORPORATION (JP) 2011-06-07 US disclosed
US-7955718-B2 Organic EL element and process for manufacture of organic EL element TDK CORPORATION (JP) 2011-06-07 US disclosed