SCHEMBL7270637

SCHEMBL7270637

COc1ccc2c(c1OC)CCC(NC(=O)CCCCC(=O)O)C2

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.51
MTNR1B P49286 8/20 0.51
DRD4 P21917 4/20 0.49
DRD2 P14416 3/20 0.49
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
ACHE P22303 3/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
DRD3 P35462 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL7270631 1.00 MTNR1A (0.51) MTNR1AMTNR1BDRD4DRD2CA1
SCHEMBL7272029 0.97 MTNR1A (0.54) MTNR1AMTNR1BDRD4DRD2CA1
SCHEMBL7275285 0.97 MTNR1A (0.54) MTNR1AMTNR1BDRD4DRD2CA1
SCHEMBL7278332 0.88 MTNR1A (0.46) MTNR1AMTNR1BDRD4DRD2CA1
SCHEMBL7279310 0.86 CA1 (0.48) MTNR1AMTNR1BDRD4DRD2CA1
SCHEMBL7332063 0.86 MTNR1A (0.63) MTNR1AMTNR1BDRD4DRD2CA1
SCHEMBL7332053 0.86 MTNR1A (0.63) MTNR1AMTNR1BDRD4DRD2CA1
SCHEMBL7273996 0.84 KMT2A (0.54) MAPT
SCHEMBL6839554 0.82 MTNR1A (0.56) MTNR1AMTNR1BDRD4DRD2CA1
SCHEMBL8960011 0.78 MTNR1A (0.52) MTNR1AMTNR1BDRD4DRD2CA1

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-5013760-A Phenylethylamine derivatives and pharmaceutical use FISONS PLC (GB) 1991-05-07 US disclosed
EP-0072061-A1 Amine derivatives, processes for their production and pharmaceutical compositions containing them FISONS plc (GB) 1983-02-16 EP disclosed