SCHEMBL9865059

SCHEMBL9865059

O=C(N=C(NCCCOc1ccccc1)Oc1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
HPGD P15428 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
RECQL P46063 3/20 0.52
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
TSHR P16473 1/20 0.43
HTR1B P28222 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
PKM P14618 2/20 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
SCHEMBL9865624 0.81 KDM4E (0.59)
SCHEMBL9866791 0.72 LMNA (0.45) SMN1; SMN2HPGDMEN1KMT2APOLB
SCHEMBL1578277 0.71 NPC1 (1.00) RAB9ANPC1SMN1; SMN2HPGDRECQL
SCHEMBL29639804 0.71 L3MBTL1 (0.70) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL9865051 0.70 SCN5A (0.59) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL9865046 0.70 SCN5A (0.59) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL10829144 0.70 GAA (0.64) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL4629192 0.69 NPC1 (0.66) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL7296910 0.69 ELANE (0.44) RAB9AHPGDL3MBTL1KMT2ATSHR
SCHEMBL3446802 0.69 MTNR1A (0.73) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5021431-A H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion HEUMANN PHARMA GMBH & CO. (DE) 1991-06-04 US disclosed