SCHEMBL9856581

SCHEMBL9856581

O=C(NCCCl)Oc1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.51
LIPE Q05469 5/20 0.49
MGLL Q99685 5/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
BCHE P06276 1/20 0.44
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 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
SCHEMBL4271747 0.84 SMN1; SMN2 (0.50) TAAR1SMN1; SMN2MGLLNPC1GAA
SCHEMBL8669664 0.84 GAA (0.63) TAAR1SMN1; SMN2MGLLNPC1GAA
SCHEMBL1895210 0.84 TAAR1 (0.58) TAAR1NPC1GAARAB9A
SCHEMBL17594142 0.81 TAAR1 (0.44) TAAR1SMN1; SMN2MGLLNPC1GAA
SCHEMBL28702749 0.80 FAAH (0.54) TAAR1
SCHEMBL8672385 0.79 MGLL (0.70) TAAR1SMN1; SMN2MGLLNPC1GAA
SCHEMBL17658700 0.79 MEN1 (0.61) TAAR1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL9269296 0.78 BCHE (0.66) TAAR1LIPEMGLLBCHE
SCHEMBL10894389 0.76 SMN1; SMN2 (0.54) TAAR1SMN1; SMN2LIPE
SCHEMBL10392680 0.76 TAAR1 (0.57) TAAR1SMN1; SMN2LIPENPC1GAA

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-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US disclosed
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 US disclosed