SCHEMBL9157044

SCHEMBL9157044

CCC[C@H]1CC[C@H](C2CCC(C(=O)Oc3ccc(Cl)nc3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CHRNB2 P17787 5/20 0.39
▸ CHRNA4 P43681 5/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CHRNA3 P32297 3/20 0.38
▸ F2 P00734 1/20 0.38
▸ CHRNB4 P30926 2/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ CHRNB1 P11230 1/20 0.37
▸ CHRNB3 Q05901 1/20 0.37
▸ ELANE P08246 1/20 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
SCHEMBL9157053 1.00 KMT2A (0.42) KMT2AHTTSMN1; SMN2TDP1CHRNB2
SCHEMBL9157051 1.00 KMT2A (0.42) KMT2AHTTSMN1; SMN2TDP1CHRNB2
SCHEMBL9162332 0.94 KMT2A (0.40) KMT2AHTTSMN1; SMN2TDP1CHRNB2
SCHEMBL9162338 0.94 KMT2A (0.40) KMT2AHTTSMN1; SMN2TDP1CHRNB2
SCHEMBL9162346 0.94 KMT2A (0.40) KMT2AHTTSMN1; SMN2TDP1CHRNB2
SCHEMBL9155679 0.93 KMT2A (0.40) KMT2AHTTSMN1; SMN2TDP1CHRNB2
SCHEMBL9155689 0.93 KMT2A (0.40) KMT2AHTTSMN1; SMN2TDP1CHRNB2
SCHEMBL9155683 0.93 KMT2A (0.40) KMT2AHTTSMN1; SMN2TDP1CHRNB2
SCHEMBL9152532 0.92 KMT2A (0.39) KMT2AHTTSMN1; SMN2TDP1CHRNB2
SCHEMBL9152525 0.92 KMT2A (0.39) KMT2AHTTSMN1; SMN2TDP1CHRNB2

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-0445248-B1 PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 1995-03-08 — — EP disclosed
US-5205962-A Stable liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-04-27 — — US disclosed
WO-1991004248-A1 PYRIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-04 — — WO disclosed
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