SCHEMBL11874431

SCHEMBL11874431

CC1N=C2N(C(=O)c3ccccc3N2C2CC2)C1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GAA P10253 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ADRA1D P25100 4/20 0.35
▸ ADRA1A P35348 4/20 0.35
▸ ADRA1B P35368 4/20 0.35
▸ OPRM1 P35372 2/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ OPRL1 P41146 2/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL11877772 0.75 ALDH1A1 (0.50) ALDH1A1NPSR1L3MBTL1TSHR
SCHEMBL11850067 0.70 TSHR (0.53) DRD2SLC6A4ALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL11877009 0.70 CASP3 (0.45) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL2665681 0.69 L3MBTL1 (0.54) DRD2SLC6A4ALDH1A1KDM4ELMNA
SCHEMBL9625796 0.69 L3MBTL1 (0.54) DRD2SLC6A4ALDH1A1KDM4ELMNA
SCHEMBL20534474 0.69 DRD2 (0.66) DRD2SLC6A4ALDH1A1NPSR1GAA
SCHEMBL13925928 0.69 L3MBTL1 (0.51) DRD2SLC6A4ALDH1A1KDM4ELMNA
SCHEMBL21311766 0.67 DRD2 (0.43) DRD2SLC6A4ALDH1A1KDM4ELMNA
SCHEMBL24119280 0.67 DRD2 (0.43) DRD2SLC6A4ALDH1A1KDM4ELMNA
SCHEMBL30259317 0.66 IDO1 (0.47) DRD2SLC6A4ALDH1A1KDM4EGAA

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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