SCHEMBL11876237

SCHEMBL11876237

CCC1(C)CN=C2N(C1)C(=O)c1ccccc1N2Cc1ccc(OC)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.45
▸ APP P05067 2/20 0.45
▸ SNCA P37840 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ UTS2R Q9UKP6 3/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ ABCB1 P08183 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ NR1H3 Q13133 2/20 0.41
▸ TP53 P04637 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ SCN9A Q15858 1/20 0.38

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
SCHEMBL11873165 0.84 TSHR (0.51) TSHRKMT2ALMNAPTGDR2
SCHEMBL11850698 0.80 TSHR (0.59) MAPTAPPSNCATSHRUTS2R
SCHEMBL11847929 0.77 TSHR (0.60) MAPTAPPSNCATSHRUTS2R
SCHEMBL4854039 0.70 NR1H3 (0.62) MAPTUTS2RKMT2ANR1H3TP53
SCHEMBL11800639 0.69 RXFP1 (0.48) MAPTTSHRUTS2RKMT2ATP53
SCHEMBL11877099 0.68 P2RX7 (0.53) TSHRPTGDR2SCN9A
Hydrochloric Acid SCHEMBL11851095 0.67 TSHR (0.73) MAPTAPPSNCATSHRKMT2A
SCHEMBL11881664 0.66 P2RX7 (0.51) TSHRKMT2ALMNA
SCHEMBL11871825 0.66 CHRM1 (0.53) TSHRLMNAALDH1A1
SCHEMBL11845463 0.65 TSHR (0.57) APPTSHRUTS2RKMT2AABCB1

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-3984556-A Alkyl-substituted-tricyclic quinazolinones for lowering blood pressure SANDOZ, INC. (US) 1976-10-05 — — US disclosed
US-3982000-A Alkyl-substituted-tricyclic quinazolinones as bronchodilators SANDOZ, INC. (US) 1976-09-21 — — US disclosed
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