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Sugi Predict / Compounds / SCHEMBL7091986

SCHEMBL7091986

SCHEMBL7091986

NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.O=C(Cc1csc(Nc2ccccc2)n1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 13/20 0.60
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ CCR1 P32246 2/20 0.51
▸ CCR3 P51677 2/20 0.51
▸ MCHR1 Q99705 1/20 0.46

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
SCHEMBL6329318 0.96 SIGMAR1 (0.65) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL4032289 0.84 SIGMAR1 (0.70) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL6609395 0.79 SIGMAR1 (0.63) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL5592604 0.77 SIGMAR1 (0.62) SIGMAR1
SCHEMBL4033740 0.75 SIGMAR1 (0.67) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL6330761 0.75 SIGMAR1 (0.66) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL4031563 0.74 SIGMAR1 (0.55) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL6386061 0.73 SIGMAR1 (0.54) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL2214629 0.73 SIGMAR1 (0.58) SIGMAR1MEN1KMT2ACCR1CCR3
SCHEMBL4031255 0.72 SIGMAR1 (0.68) SIGMAR1MEN1KMT2ACCR1CCR3

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-1363902-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-11-26 — — EP disclosed
WO-2002066460-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2002-08-29 — — WO disclosed