SCHEMBL11465416

SCHEMBL11465416

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 4/20 0.60
▸ GFER P55789 2/20 0.58
▸ MAPT P10636 2/20 0.54
▸ TP53 P04637 2/20 0.54
▸ POLB P06746 1/20 0.53
▸ HTR1A P08908 1/20 0.52
▸ DRD2 P14416 3/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ DRD3 P35462 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ HTR7 P34969 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ CDK2 P24941 1/20 0.50
▸ APP P05067 1/20 0.50

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
SCHEMBL11457057 0.93 DRD4 (0.59) DRD4GFERMAPTTP53POLB
SCHEMBL11455011 0.92 DRD4 (0.58) DRD4GFERMAPTTP53POLB
SCHEMBL11447565 0.91 GFER (0.60) DRD4GFERMAPTTP53POLB
SCHEMBL11465661 0.91 DRD4 (0.59) DRD4GFERMAPTTP53POLB
SCHEMBL11446172 0.90 DRD4 (0.56) DRD4GFERMAPTTP53POLB
SCHEMBL11465892 0.89 DRD4 (0.55) DRD4GFERMAPTTP53POLB
SCHEMBL11456513 0.88 DRD4 (0.54) DRD4GFERMAPTTP53POLB
SCHEMBL11446739 0.87 DRD4 (0.53) DRD4GFERMAPTTP53POLB
SCHEMBL11447731 0.87 GFER (0.60) DRD4GFERMAPTTP53POLB
SCHEMBL11466045 0.86 HTR7 (0.61) DRD4GFERMAPTPOLBHTR1A

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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