SCHEMBL20032084

SCHEMBL20032084

CCC(Cc1ccccn1)NCCNc1ccccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL19214768 0.85 ALDH1A1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18158082 0.80 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19214870 0.80 HRH1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19214773 0.79 CHRM2 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19214771 0.78 CHRM2 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19214713 0.77 FDPS (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19214769 0.76 FERMT2 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19214714 0.76 FDPS (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3993461 0.75 CYP1A2 (0.60) HRH3MAOAMAOBALDH1A1LMNA
SCHEMBL20024596 0.74 CHRM2 (0.55) MAOAMAOBALDH1A1LMNAALOX15

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-20180094086-A1 NEAR INFRARED ABSORBING COMPOSITION, NEAR INFRARED CUT FILTER, METHOD OF MANUFACTURING NEAR INFRARED CUT FILTER, DEVICE, METHOD OF MANUFACTURING COPPER-CONTAINING POLYMER, AND COPPER-CONTAINING POLYMER FUJIFILM CORPORATION (JP) 2018-04-05 US disclosed