SCHEMBL11446739

SCHEMBL11446739

COc1ccc(NCCN2CCN(c3ccccc3)CC2)c(C(=O)N2CCOCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 3/20 0.53
▸ GFER P55789 2/20 0.52
▸ DRD2 P14416 2/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ MAPT P10636 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ POLB P06746 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ APP P05067 1/20 0.47
▸ DRD3 P35462 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HTR1A P08908 1/20 0.46

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
SCHEMBL11446897 0.93 GFER (0.54) DRD4GFERDRD2HTR2AMAPT
SCHEMBL11465892 0.92 DRD4 (0.55) DRD4GFERDRD2HTR2AMAPT
SCHEMBL11456513 0.91 DRD4 (0.54) DRD4GFERDRD2HTR2AMAPT
SCHEMBL11448419 0.88 HTR7 (0.54) DRD4DRD2HTR2AMAPTALDH1A1
SCHEMBL11465416 0.87 DRD4 (0.60) DRD4GFERDRD2MAPTTP53
SCHEMBL11457057 0.86 DRD4 (0.59) DRD4GFERDRD2MAPTTP53
SCHEMBL11446934 0.85 HTR7 (0.45) DRD2HTR2AMAPTTP53ALDH1A1
SCHEMBL11455011 0.85 DRD4 (0.58) DRD4GFERDRD2HTR2AMAPT
SCHEMBL11608542 0.85 KMT2A (0.52) GFERDRD2HTR2APOLBLMNA
SCHEMBL11447094 0.85 GFER (0.56) DRD4GFERDRD2HTR2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4205173-A 1-Heterocyclic alkyl-1,2,3,4-tetrahydroquinazolinones and analgesic intermediates thereof PENNWALT CORPORATION (US) 1980-05-27 — — US disclosed
US-4085107-A ANALGESICS PENNWALT CORPORATION (US) 1978-04-18 — — US disclosed
US-4060526-A 1-Heterocyclic alkyl-1,2,3,4-tetrahydroquinazolinones and analgesic intermediates thereof PENNWALT CORPORATION (US) 1977-11-29 — — US disclosed
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