SCHEMBL8812233

SCHEMBL8812233

O=C(Nc1ccc(OCCNCCc2ccccc2)cc1)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.55
▸ NR1H4 Q96RI1 3/20 0.54
▸ GAA P10253 1/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ ADRB1 P08588 3/20 0.52
▸ ADRB3 P13945 3/20 0.52
▸ ADRB2 P07550 3/20 0.52
▸ KMT2A Q03164 7/20 0.51
▸ MEN1 O00255 6/20 0.51
▸ PPARA Q07869 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.50

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
SCHEMBL8812228 0.79 ACHE (0.56) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL8809414 0.78 ACHE (0.62) KMT2AMEN1
SCHEMBL8809426 0.78 KMT2A (0.51) NR1H4NPC1KMT2AMEN1MAPT
SCHEMBL22192242 0.76 NPC1 (0.69) NR1H4NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL22192243 0.75 NR1H4 (0.71) NR1H4NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5181024 0.74 THRB (0.60) NR1H4GAANPC1RAB9ASMN1; SMN2
SCHEMBL12651141 0.73 TAAR1 (0.57) TAAR1NR1H4GAAKMT2AMEN1
SCHEMBL9268670 0.73 DRD4 (0.69) GAAKMT2AMEN1PPARALMNA
SCHEMBL13601060 0.72 HDAC1 (0.77) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL10990054 0.72 GAA (1.00) TAAR1GAAKMT2AMEN1

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
US-5663179-A CAN SENSITIZE MULTIDRUG RESISTANT CANCER CELLS TO CHEMOTHERAPEUTIC AGENTS LABORATOIRES GLAXO SA (FR) 1997-09-02 — — US disclosed
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 — — EP disclosed
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