SCHEMBL7106587

SCHEMBL7106587

CNC(c1cccc(OC)c1)C(C)(C)C(=O)NCC1CC1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 9/20 0.76
OPRD1 P41143 4/20 0.76
CACNA1H O95180 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGIR P43119 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
FFAR1 O14842 1/20 0.41

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
SCHEMBL7107673 0.95 OPRK1 (0.77) OPRK1OPRD1CACNA1HPOLBSMN1; SMN2
SCHEMBL7101012 0.86 OPRK1 (1.00) OPRK1OPRD1POLB
SCHEMBL7106987 0.81 OPRK1 (0.73) OPRK1OPRD1MTNR1AMTNR1B
SCHEMBL18978191 0.70 KMT2A (0.42) POLBMEN1KMT2ASMN1; SMN2PTGIR
SCHEMBL14533685 0.69 AOC3 (0.46) POLBMEN1KMT2ASMN1; SMN2MTNR1A
SCHEMBL20103399 0.69 FFAR1 (0.57) POLBFFAR1
SCHEMBL7102313 0.68 OPRK1 (1.00) OPRK1OPRD1MEN1KMT2ASMN1; SMN2
SCHEMBL5524760 0.67 PTGIR (0.53) MEN1KMT2ASMN1; SMN2PTGIRMTNR1A
SCHEMBL5524757 0.67 PTGIR (0.53) MEN1KMT2ASMN1; SMN2PTGIRMTNR1A
SCHEMBL2404817 0.66 L3MBTL1 (0.53) OPRK1POLBMEN1KMT2AMTNR1A

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-1055665-B1 3-(3-Hydroxyphenyl)-3-amino-propionamide derivatives PFIZER PROD INC (US) 2003-10-22 EP disclosed
EP-1055665-A1 3-(3-Hydroxyphenyl)-3-amino-propionamide derivatives Pfizer Products Inc. (US) 2000-11-29 EP disclosed