SCHEMBL7459178

SCHEMBL7459178

O=CNCC(CCCN1CCC(O)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 14/20 0.56
CCR1 P32246 12/20 0.56
OPRM1 P35372 3/20 0.52
OPRL1 P41146 2/20 0.50
OPRD1 P41143 1/20 0.48

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 SCHEMBL7463492 0.99 CCR3 (0.55) CCR3CCR1OPRM1OPRL1OPRD1
SCHEMBL7460163 0.91 CCR3 (0.66) CCR3CCR1
Hydrochloric Acid SCHEMBL7461977 0.90 CCR3 (0.65) CCR3CCR1
SCHEMBL7470954 0.89 CCR3 (0.61) CCR3CCR1
Hydrochloric Acid SCHEMBL7461078 0.88 CCR3 (0.60) CCR3CCR1
SCHEMBL7458762 0.87 CCR1 (0.64) CCR3CCR1
Hydrochloric Acid SCHEMBL7462232 0.86 CCR1 (0.63) CCR3CCR1
SCHEMBL7461534 0.86 CCR1 (0.64) CCR3CCR1
Hydrochloric Acid SCHEMBL7459913 0.85 CCR1 (0.63) CCR3CCR1
SCHEMBL7464621 0.84 CCR3 (0.72) CCR3CCR1

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