SCHEMBL11454487

SCHEMBL11454487

COc1ccc(NCCN2CCC(O)(c3ccccc3)CC2)c(C(N)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ DRD2 P14416 2/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ SLC6A1 P30531 1/20 0.45
▸ SLC6A12 P48065 1/20 0.45
▸ SLC6A11 P48066 1/20 0.45
▸ CCR1 P32246 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ OPRL1 P41146 1/20 0.43
▸ CCR3 P51677 1/20 0.43

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
SCHEMBL11446630 0.88 DRD2 (0.46) MEN1KMT2AALDH1A1DRD2CCR1
SCHEMBL11456856 0.86 DRD2 (0.46) MEN1KMT2AALDH1A1DRD2DRD3
SCHEMBL11466052 0.85 OPRM1 (0.43) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL11446528 0.84 DRD2 (0.50) MEN1KMT2ADRD2CCR1OPRM1
SCHEMBL11455011 0.83 DRD4 (0.58) DRD2DRD3
SCHEMBL11446712 0.81 DRD3 (0.50) DRD2DRD3OPRM1
SCHEMBL11446735 0.79 KMT2A (0.49) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11446412 0.78 HTR1A (0.59) KMT2AALDH1A1LMNADRD2
SCHEMBL11455002 0.76 OPRM1 (0.42) DRD3OPRM1OPRD1OPRK1OPRL1
SCHEMBL11465441 0.75 ADRA1A (0.42) ALDH1A1DRD2DRD3OPRM1OPRD1

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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