SCHEMBL8622210

SCHEMBL8622210

N[C@@H](c1ccccc1)C1(O)CCCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
DPP4 P27487 2/20 0.41
F2 P00734 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
CHRM4 P08173 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38

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
SCHEMBL1153684 1.00 LMNA (0.41) LMNACHRM2CHRM1CHRM3DPP4
SCHEMBL4556659 1.00 LMNA (0.41) LMNACHRM2CHRM1CHRM3DPP4
SCHEMBL1153253 0.98 CHRM2 (0.40) LMNACHRM2CHRM1CHRM3DPP4
SCHEMBL4441548 0.98 CHRM2 (0.40) LMNACHRM2CHRM1CHRM3DPP4
SCHEMBL7101907 0.98 CHRM2 (0.40) LMNACHRM2CHRM1CHRM3DPP4
SCHEMBL7105607 0.98 CHRM2 (0.40) LMNACHRM2CHRM1CHRM3DPP4
SCHEMBL1152738 0.96 DPP4 (0.41) LMNACHRM2CHRM1CHRM3DPP4
SCHEMBL6570495 0.96 DPP4 (0.41) LMNACHRM2CHRM1CHRM3DPP4
SCHEMBL16965781 0.96 DPP4 (0.41) LMNACHRM2CHRM1CHRM3DPP4
SCHEMBL18793693 0.91 DPP4 (0.44) LMNADPP4F2OPRM1OPRD1

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-0713880-B1 Stereoselective reduction of 17-ketosteroids JENAPHARM GMBH (DE) 1998-06-10 EP disclosed
EP-0713880-A2 Stereoselective reduction of 17-ketosteroids JENAPHARM GmbH (DE) 1996-05-29 EP disclosed