SCHEMBL11454835

SCHEMBL11454835

COC(=O)c1c(N)cccc1NC(C)CN1CCN(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.55
▸ LMNA P02545 1/20 0.55
▸ NPC1 O15118 1/20 0.46
▸ MAPT P10636 6/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ HTT P42858 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ GFER P55789 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42

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
SCHEMBL11447151 0.92 ALDH1A1 (0.49) ALDH1A1LMNANPC1MAPTMEN1
SCHEMBL11447378 0.88 ALDH1A1 (0.46) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL11447451 0.88 MAPT (0.50) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL11446665 0.84 ALDH1A1 (0.55) ALDH1A1LMNANPC1MAPTMEN1
SCHEMBL11446940 0.83 ALDH1A1 (0.64) ALDH1A1LMNANPC1MAPTMEN1
SCHEMBL11465437 0.82 ADRA1D (0.52) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL11456867 0.81 KMT2A (0.50) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL11447556 0.81 ALDH1A1 (0.57) ALDH1A1LMNANPC1MAPTMEN1
SCHEMBL11446758 0.81 ADRA1D (0.47) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL11454629 0.80 ALDH1A1 (0.52) ALDH1A1LMNANPC1MAPTMEN1

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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