SCHEMBL18619576

SCHEMBL18619576

Cc1cc(Br)ccc1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(O)O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 2/20 0.42
▸ CCR1 P32246 6/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ NR1I2 O75469 1/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ ELANE P08246 4/20 0.35
▸ ACE2 Q9BYF1 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CTSG P08311 1/20 0.34

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
SCHEMBL20484696 0.86 MEN1 (0.48) PREPTAAR1ELANEACE2MEN1
SCHEMBL20484698 0.86 MEN1 (0.48) PREPTAAR1ELANEACE2MEN1
SCHEMBL22209415 0.84 ALDH1A1 (0.46) PREPCCR1TAAR1ELANEMEN1
SCHEMBL18620590 0.84 ALDH1A1 (0.46) PREPCCR1TAAR1ELANEMEN1
SCHEMBL18620627 0.82 PREP (0.42) PREPCCR1TAAR1DPP4DPP8
SCHEMBL18619652 0.78 PREP (0.53) PREPCCR1TAAR1DPP4DPP8
SCHEMBL18619648 0.77 PREP (0.55) PREPCCR1TAAR1DPP4DPP8
SCHEMBL20485170 0.75 MEN1 (0.47) PREPTAAR1ELANEACE2MEN1
SCHEMBL18620640 0.75 MEN1 (0.47) PREPTAAR1ELANEACE2MEN1
SCHEMBL22209534 0.73 ALDH1A1 (0.46) PREPTAAR1CYP3A4ELANEMEN1

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
WO-2017040304-A1 MALT1 INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2017-03-09 — — WO disclosed
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