SCHEMBL10595315

SCHEMBL10595315

O=C(Cl)[C@@H]1CCCN1C(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.47
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ FKBP1A P62942 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ PREP P48147 3/20 0.36
▸ POLB P06746 1/20 0.35
▸ KLK7 P49862 1/20 0.35
▸ KLK5 Q9Y337 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.34

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
SCHEMBL10595318 1.00 RAB9A (0.47) RAB9ACHRM2CHRM4CHRM1CHRM3
SCHEMBL27922142 0.88 RAB9A (0.44) RAB9ASMN1; SMN2ALDH1A1HSD17B10PREP
SCHEMBL28836255 0.87 RAB9A (0.61) RAB9ASMN1; SMN2ALDH1A1HSD17B10LMNA
SCHEMBL7367598 0.87 RAB9A (0.61) RAB9ASMN1; SMN2ALDH1A1HSD17B10LMNA
SCHEMBL3065176 0.83 RAB9A (0.53) RAB9ASMN1; SMN2ALDH1A1FKBP1APREP
SCHEMBL7946008 0.83 RAB9A (0.53) RAB9ASMN1; SMN2ALDH1A1FKBP1APREP
SCHEMBL7948659 0.83 RAB9A (0.53) RAB9ASMN1; SMN2ALDH1A1FKBP1APREP
SCHEMBL10595311 0.78 HSD17B10 (0.40) RAB9ASMN1; SMN2ALDH1A1HSD17B10LMNA
SCHEMBL14908297 0.78 RAB9A (0.44) RAB9ACHRM1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL5701849 0.77 RAB9A (0.49) RAB9ACHRM2CHRM4CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0168950-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-01-11 — — EP disclosed
EP-0168950-A1 Leukotriene antagonists SMITHKLINE BECKMAN CORPORATION (US) 1986-01-22 — — EP disclosed
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