SCHEMBL9037444

SCHEMBL9037444

CCCCOC(=O)N1CCC(C(=O)O)(c2ccncc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 3/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ TET3 O43151 2/20 0.46
▸ FBXL19 Q6PCT2 2/20 0.46
▸ CXXC5 Q7LFL8 2/20 0.46
▸ TET1 Q8NFU7 2/20 0.46
▸ KDM2B Q8NHM5 2/20 0.46
▸ CXXC4 Q9H2H0 2/20 0.46
▸ KDM2A Q9Y2K7 2/20 0.46
▸ LMNA P02545 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ HRH2 P25021 2/20 0.44
▸ HRH1 P35367 2/20 0.44
▸ ITGB3 P05106 2/20 0.43
▸ ITGA2B P08514 2/20 0.43
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL1447090 0.89 OPRD1 (0.56) OPRD1OPRK1KMT2AMEN1TET3
SCHEMBL6248104 0.86 KMT2A (0.54) OPRD1OPRK1KMT2AMEN1TET3
SCHEMBL8915729 0.80 OPRM1 (0.53) OPRD1OPRK1KMT2AMEN1TET3
SCHEMBL27472889 0.80 OPRD1 (0.57) OPRD1OPRK1LMNAPOLBSMN1; SMN2
SCHEMBL8438413 0.79 SMN1; SMN2 (0.55) OPRD1OPRK1KMT2AMEN1TET3
SCHEMBL8352820 0.78 TSHR (0.53) OPRD1OPRK1KMT2ATET3FBXL19
SCHEMBL30659245 0.74 SMN1; SMN2 (0.56) OPRD1OPRK1KMT2AMEN1LMNA
SCHEMBL346648 0.74 SMN1; SMN2 (0.56) OPRD1OPRK1KMT2AMEN1LMNA
SCHEMBL30297575 0.74 CYP3A4 (0.62) KMT2AMEN1SMN1; SMN2TSHRITGB3
SCHEMBL27942388 0.73 OPRM1 (0.49) OPRD1OPRK1KMT2AMEN1TET3

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-0696280-A1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL DOW PHARMA (US) 1996-02-14 — — EP disclosed
WO-1994026735-A1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL DOW PHARMACEUTICALS INC. (US) 1994-11-24 — — WO disclosed
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