SCHEMBL6985572

SCHEMBL6985572

NN1CCC(c2cccnc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.62
CHRNA7 P36544 5/20 0.53
CHRNB2 P17787 5/20 0.50
CHRNA4 P43681 5/20 0.50
ALDH1A1 P00352 3/20 0.49
CHRNB4 P30926 2/20 0.49
CHRNA3 P32297 2/20 0.49
CHRNA2 Q15822 2/20 0.49
CYP2A6 P11509 2/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTR3E A5X5Y0 1/20 0.49
PSIP1 O75475 1/20 0.49
TRPA1 O75762 1/20 0.49
HTR3B O95264 1/20 0.49
CHRNA1 P02708 1/20 0.49
CHRNG P07510 1/20 0.49
MAPT P10636 1/20 0.49
CHRNB1 P11230 1/20 0.49
PTGS1 P23219 1/20 0.49

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
SCHEMBL29848157 0.82
SCHEMBL990213 0.82
SCHEMBL29351735 0.82 CYP11B2 (0.62) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL4397664 0.82 CYP11B2 (0.62) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
Ammonia Solution, Strong SCHEMBL28985148 0.81 CYP11B2 (0.77) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL29889680 0.79 HSD11B1 (0.56) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL30434052 0.79 CYP11B2 (0.88) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL6095783 0.79 CYP11B2 (0.96) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL26154135 0.79 CYP11B2 (0.88) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1
SCHEMBL13842724 0.78 CYP11B2 (0.57) CYP11B2CHRNA7CHRNB2CHRNA4ALDH1A1

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-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed