SCHEMBL9913010

SCHEMBL9913010

COc1cccc(N(c2ccc(-n3c4cc(N(c5cccc(OC)c5)c5ccc6ccccc6c5)ccc4c4ccc(N(c5cccc(OC)c5)c5ccc6ccccc6c5)cc43)cc2)c2ccc3ccccc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
CYP1A2 P05177 2/20 0.40
CYP2A6 P11509 1/20 0.40
NTRK1 P04629 1/20 0.37
IGF1R P08069 1/20 0.37
FGFR1 P11362 1/20 0.37
NTRK2 Q16620 1/20 0.37
PER2 O15055 1/20 0.36
CRY1 Q16526 1/20 0.36
CRY2 Q49AN0 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.34
USP2 O75604 1/20 0.34
CNR2 P34972 1/20 0.33

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
SCHEMBL9913021 0.99 MTNR1A (0.42) MTNR1AMTNR1BCYP1A2CYP2A6NTRK1
SCHEMBL9913019 0.92 NTRK1 (0.42) MTNR1AMTNR1BNTRK1IGF1RFGFR1
SCHEMBL21452044 0.91 KDM4E (0.38) MTNR1AMTNR1BCYP1A2NTRK1IGF1R
SCHEMBL9912897 0.90 MTNR1A (0.43) MTNR1AMTNR1BCYP1A2CYP2A6NTRK1
SCHEMBL9912985 0.89 MTNR1A (0.42) MTNR1AMTNR1BCYP1A2CYP2A6NTRK1
SCHEMBL23029031 0.89 ADRA2A (0.38) MTNR1AMTNR1BCYP1A2NTRK1IGF1R
SCHEMBL9913015 0.88 NTRK1 (0.36) MTNR1AMTNR1BNTRK1IGF1RFGFR1
SCHEMBL9913011 0.87 PER2 (0.36) MTNR1AMTNR1BCYP1A2NTRK1IGF1R
SCHEMBL9913022 0.87 KDM4E (0.38) CYP1A2IGF1RPER2CRY1CRY2
SCHEMBL9912995 0.87 KDM4E (0.38) CYP1A2IGF1RPER2CRY1CRY2

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-8198801-B2 Materials for injecting or transporting holes and organic electroluminescence devices using the same LG CHEM, LTD. (KR) 2012-06-12 US disclosed
US-8198801-B2 Materials for injecting or transporting holes and organic electroluminescence devices using the same LG CHEM, LTD. (KR) 2012-06-12 US disclosed