SCHEMBL11559129

SCHEMBL11559129

O=C(OCCc1ccccc1)C1Cc2sccc2CN1CCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.41
▸ FKBP1A P62942 8/20 0.38
▸ CHRM5 P08912 4/20 0.38
▸ CHRM1 P11229 4/20 0.38
▸ CHRM3 P20309 4/20 0.38
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GRM2 Q14416 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.36
▸ CHRM2 P08172 3/20 0.36
▸ CHRM4 P08173 3/20 0.36

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
SCHEMBL11427641 0.80 ACE (0.42) ACEFKBP1A
Hydrochloric Acid SCHEMBL11560085 0.79 ACE (0.41) ACEFKBP1A
SCHEMBL11557147 0.73 ACE (0.53) ACE
SCHEMBL16605559 0.71 CHRM2 (0.50) FKBP1ACHRM5CHRM1CHRM3CHRM2
SCHEMBL11563644 0.70 FKBP1A (0.42) FKBP1A
SCHEMBL11562628 0.70 ALDH1A1 (0.46) ACELMNASMN1; SMN2GRM2CHRM2
SCHEMBL11554022 0.70 BRD4 (0.38) ACELMNASMN1; SMN2
SCHEMBL7536224 0.69 GRM2 (0.51) ACEGRM2HDAC8
SCHEMBL7536221 0.69 GRM2 (0.51) ACEGRM2HDAC8
SCHEMBL11558987 0.69 MMP9 (0.45) ACELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4147787-A ANTICOAGULANTS PARCOR (FR) 1979-04-03 — — US disclosed
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