SCHEMBL264501

SCHEMBL264501

CC(N)(N)c1ccnc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.48
SSTR4 P31391 3/20 0.44
HTR1A P08908 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
AAK1 Q2M2I8 2/20 0.42
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PTK2B Q14289 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FERMT2 Q96AC1 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL16252851 0.89 NCF1 (0.52) NCF1LOXL2SSTR4HTR1AADRA1D
SCHEMBL8060951 0.85 NCF1 (0.48) NCF1LOXL2SSTR4HTR1AADRA1D
SCHEMBL803131 0.84 NCF1 (0.50) NCF1LOXL2SSTR4HTR1AADRA1D
SCHEMBL7356796 0.81 NCF1 (0.47) NCF1LOXL2SSTR4HTR1AADRA1D
SCHEMBL11904335 0.81 NCF1 (0.47) NCF1LOXL2SSTR4HTR1AADRA1D
SCHEMBL26294685 0.81 NCF1 (0.47) NCF1LOXL2SSTR4HTR1AADRA1D
SCHEMBL19053405 0.79 LOXL2 (0.47) NCF1LOXL2SSTR4HTR1AADRA1D
Hydrochloric Acid SCHEMBL7348696 0.79 NCF1 (0.46) NCF1LOXL2SSTR4HTR1AADRA1D
SCHEMBL14692676 0.79 LOXL2 (0.44) NCF1LOXL2SSTR4HTR1AADRA1D
SCHEMBL29393436 0.78 NCF1 (0.44) NCF1LOXL2SSTR4HTR1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed