SCHEMBL9153828

SCHEMBL9153828

CC[C@H]1CC[C@H]([C@H]2CC[C@H](C(=O)Oc3ccc(Cl)nc3)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CHRNB2 P17787 4/20 0.39
▸ CHRNA4 P43681 4/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CHRNA3 P32297 3/20 0.39
▸ F2 P00734 1/20 0.39
▸ CHRNB4 P30926 2/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CHRNB1 P11230 1/20 0.38
▸ CHRNB3 Q05901 1/20 0.38
▸ ELANE P08246 1/20 0.37

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
SCHEMBL9153824 1.00 KMT2A (0.43) KMT2ASMN1; SMN2HTTTDP1CHRNB2
SCHEMBL9153831 1.00 KMT2A (0.43) KMT2ASMN1; SMN2HTTTDP1CHRNB2
SCHEMBL9157053 0.92 KMT2A (0.42) KMT2ASMN1; SMN2HTTTDP1CHRNB2
SCHEMBL9157044 0.92 KMT2A (0.42) KMT2ASMN1; SMN2HTTTDP1CHRNB2
SCHEMBL9157051 0.92 KMT2A (0.42) KMT2ASMN1; SMN2HTTTDP1CHRNB2
SCHEMBL9162332 0.89 KMT2A (0.40) KMT2ASMN1; SMN2HTTTDP1CHRNB2
SCHEMBL9162338 0.89 KMT2A (0.40) KMT2ASMN1; SMN2HTTTDP1CHRNB2
SCHEMBL9162346 0.89 KMT2A (0.40) KMT2ASMN1; SMN2HTTTDP1CHRNB2
SCHEMBL9155683 0.88 KMT2A (0.40) KMT2ASMN1; SMN2HTTTDP1CHRNB2
SCHEMBL9155679 0.88 KMT2A (0.40) KMT2ASMN1; SMN2HTTTDP1CHRNB2

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
EP-0445248-A1 PYRIDINE DERIVATIVES. MERCK PATENT GMBH (DE) 1991-09-11 — — EP disclosed
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