SCHEMBL6305789

SCHEMBL6305789

O=S(=O)(N[C@@H]1CCC[C@H]1N1CCC(Cc2ccc(Cl)cc2)CC1)c1ccc(F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 6/20 0.49
▸ CRHR2 Q13324 6/20 0.49
▸ MCOLN3 Q8TDD5 2/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ FPR2 P25090 4/20 0.40
▸ PROKR1 Q8TCW9 4/20 0.40
▸ GMNN O75496 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CCR1 P32246 1/20 0.39
▸ HTR6 P50406 2/20 0.39

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
SCHEMBL6305784 1.00 CRHBP (0.49) CRHBPCRHR2MCOLN3KMT2AFPR2
SCHEMBL6303738 0.92 CRHBP (0.49) CRHBPCRHR2MCOLN3KMT2AFPR2
SCHEMBL6303741 0.92 CRHBP (0.49) CRHBPCRHR2MCOLN3KMT2AFPR2
SCHEMBL6303803 0.92 CRHBP (0.47) CRHBPCRHR2MCOLN3KMT2AFPR2
SCHEMBL6303808 0.92 CRHBP (0.47) CRHBPCRHR2MCOLN3KMT2AFPR2
SCHEMBL6303780 0.86 CRHBP (0.66) CRHBPCRHR2MCOLN3KMT2AGMNN
SCHEMBL6303778 0.86 CRHBP (0.66) CRHBPCRHR2MCOLN3KMT2AGMNN
SCHEMBL6311367 0.86 CRHBP (0.47) CRHBPCRHR2MCOLN3KMT2AFPR2
SCHEMBL6311363 0.86 CRHBP (0.47) CRHBPCRHR2MCOLN3KMT2AFPR2
SCHEMBL6303617 0.85 CRHBP (0.52) CRHBPCRHR2MCOLN3KMT2AHTR6

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-6977265-B2 Piperidine CCR-3 receptor antagonists ROCHE PALO ALTO LLC (US) 2005-12-20 — — US disclosed
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