SCHEMBL10911997

SCHEMBL10911997

CCOC(=O)N(c1ccc(Cl)c(Cl)c1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 5/20 0.53
▸ OPRM1 P35372 1/20 0.53
▸ SLC6A4 P31645 2/20 0.51
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ CHRM2 P08172 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ ENPP2 Q13822 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MITF O75030 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SLC6A3 Q01959 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL11378463 0.85 TACR1 (0.44) TACR1OPRM1SLC6A4KMT2AMEN1
SCHEMBL11404600 0.85 ALDH1A1 (0.49) TACR1OPRM1KMT2AMEN1SMN1; SMN2
SCHEMBL11498170 0.84 TACR1 (0.44) TACR1OPRM1SLC6A4KMT2AMEN1
SCHEMBL10891234 0.80 ALDH1A1 (0.62) TACR1OPRM1KMT2AMEN1SMN1; SMN2
SCHEMBL28514344 0.78 ALDH1A1 (0.46) TACR1OPRM1KMT2AMEN1SMN1; SMN2
SCHEMBL7181893 0.78 ALDH1A1 (0.60) TACR1OPRM1KMT2AMEN1SMN1; SMN2
SCHEMBL10912937 0.78 MAPT (0.49) OPRM1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL11499971 0.76 TACR1 (0.39) TACR1OPRM1SLC6A4KMT2AMEN1
SCHEMBL10912458 0.76 HSD17B10 (0.44) TACR1OPRM1KMT2AMEN1SMN1; SMN2
SCHEMBL11559949 0.75 TACR1 (0.40) TACR1OPRM1SLC6A4KMT2AMEN1

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
EP-0027940-B2 PROCESS FOR PREPARING URETHANES BAYER AG (DE) 1986-12-30 — — EP disclosed
EP-0027940-B1 PROCESS FOR PREPARING URETHANES BAYER AG (DE) 1983-09-14 — — EP disclosed
EP-0027940-A1 Process for preparing urethanes BAYER AG (DE) 1981-05-06 — — EP disclosed
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