SCHEMBL6610050

SCHEMBL6610050

CCCCCOC(N)CCN

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.50
OPRM1 P35372 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
EPHX1 P07099 1/20 0.39
TLR2 O60603 2/20 0.38
DPP7 Q9UHL4 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
HTT P42858 1/20 0.37

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
SCHEMBL8050515 0.98 DNM1 (0.53) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL12096349 0.98 DNM1 (0.53) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL19809920 0.98 DNM1 (0.53) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL8052574 0.98 DNM1 (0.53) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL10994150 0.98 DNM1 (0.53) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL8048713 0.98 DNM1 (0.53) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL9013817 0.98 DNM1 (0.53) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL3492554 0.93 DNM1 (0.42) DNM1OPRM1MEN1KMT2AALDH1A1
Acetic Acid SCHEMBL11767732 0.88 DNM1 (0.44) DNM1TSHRTLR2DPP7
SCHEMBL7720705 0.86 DNM1 (0.50) DNM1MEN1KMT2AALDH1A1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389202-B1 2,6-SUBSTITUTED CHROMAN DERIVATIVES USEFUL AS BETA-3 ADRENORECEPTOR AGONISTS BAYER PHARMACEUTICALS CORP (US) 2004-09-29 EP disclosed
US-4140779-A ANTIDEPRESSANTS AYERST, MCKENNA AND HARRISON LIMITED (CA) 1979-02-20 US disclosed
US-4140779-A ANTIDEPRESSANTS AYERST, MCKENNA AND HARRISON LIMITED (CA) 1979-02-20 US disclosed