SCHEMBL7462124

SCHEMBL7462124

COc1ccc(C2(O)CCN(CCCC(CNC=O)(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 14/20 0.67
CCR3 P51677 14/20 0.67
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
KMT2A Q03164 1/20 0.57
SLC6A1 P30531 1/20 0.52
SLC6A12 P48065 1/20 0.52
SLC6A11 P48066 1/20 0.52

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
Hydrochloric Acid SCHEMBL7461449 0.99 CCR1 (0.66) CCR1CCR3MEN1ALDH1A1LMNA
SCHEMBL7470954 0.90 CCR3 (0.61) CCR1CCR3
Hydrochloric Acid SCHEMBL7461078 0.89 CCR3 (0.60) CCR1CCR3
SCHEMBL7461534 0.87 CCR1 (0.64) CCR1CCR3
SCHEMBL7464621 0.87 CCR3 (0.72) CCR1CCR3
SCHEMBL7460163 0.87 CCR3 (0.66) CCR1CCR3
Hydrochloric Acid SCHEMBL7459913 0.87 CCR1 (0.63) CCR1CCR3
Hydrochloric Acid SCHEMBL7470140 0.87 CCR3 (0.71) CCR1CCR3
Hydrochloric Acid SCHEMBL7461977 0.86 CCR3 (0.65) CCR1CCR3
Hydrochloric Acid SCHEMBL8892059 0.83 CCR3 (0.66) CCR1CCR3

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
EP-1219294-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP claimed
EP-1219294-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed