SCHEMBL18895930

SCHEMBL18895930

CC(C)(O)c1ccc2c(c1)/C(=C/CCN1CCC(O)(c3ccccc3)CC1)C1=CC=CNC1CO2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.43
▸ LTA4H P09960 2/20 0.34
▸ KCNA3 P22001 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HRH1 P35367 3/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ OPRL1 P41146 2/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ OPRM1 P35372 2/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ DRD2 P14416 1/20 0.31

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
SCHEMBL15478375 0.93 CCR1 (0.50) CCR1HRH1OPRL1SIGMAR1OPRM1
SCHEMBL18633827 0.87 CCR1 (0.39) CCR1HRH1SIGMAR1MEN1KMT2A
SCHEMBL15478333 0.82 DRD2 (0.40) CCR1OPRL1OPRM1DRD2
SCHEMBL10287677 0.81 CCR1 (0.42) CCR1
SCHEMBL15478355 0.81 CCR1 (0.38) CCR1OPRL1SIGMAR1OPRM1DRD2
SCHEMBL15478359 0.81 CCR1 (0.38) CCR1HRH1OPRL1OPRM1DRD2
SCHEMBL15478420 0.80 CCR1 (0.37) CCR1HRH1DRD2
SCHEMBL14419960 0.80 DRD2 (0.37) CCR1HRH1OPRL1SIGMAR1OPRM1
SCHEMBL15478401 0.79 CCR1 (0.37) CCR1HRH1OPRL1SIGMAR1OPRM1
SCHEMBL13824505 0.79 CCR1 (0.32) CCR1HRH1

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-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 — — US disclosed
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