SCHEMBL7764635

SCHEMBL7764635

CCOc1ccc(C(CCNC(Oc2ccccc2)C(C)O)c2ccc(OCC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.44
KMT2A Q03164 9/20 0.44
MEN1 O00255 8/20 0.44
OPRM1 P35372 3/20 0.44
OPRD1 P41143 2/20 0.44
MITF O75030 2/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
SMPD1 P17405 1/20 0.42

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
SCHEMBL7610419 0.86 KMT2A (0.54) CNR2KMT2AMEN1OPRM1OPRD1
SCHEMBL7613185 0.81 RAB9A (0.53) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL7612159 0.80 RAB9A (0.46) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL7605257 0.80 KMT2A (0.41) CNR2KMT2AMEN1OPRM1OPRD1
SCHEMBL7612545 0.80 CASR (0.46) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL7768377 0.79 SMN1; SMN2 (0.48) CNR2KMT2AMEN1MITFALDH1A1
SCHEMBL7610407 0.79 GLA (0.48) KMT2AMEN1OPRM1ALDH1A1LMNA
SCHEMBL9662279 0.79 LMNA (0.71) KMT2AMEN1OPRM1OPRD1MITF
Hydrochloric Acid SCHEMBL7764617 0.78 KMT2A (0.46) CNR2KMT2AMEN1OPRM1OPRD1
Sulfuric Acid SCHEMBL7540439 0.75 SMN1; SMN2 (0.44) CNR2KMT2AMEN1MITFALDH1A1

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-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP disclosed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 WO disclosed