SCHEMBL22167308

SCHEMBL22167308

CCc1ccc(C(=O)NC(Cc2ccc(-c3ncc(Br)cn3)cc2)C(=O)N2CC(C(=O)OC(C)(C)C)C2)s1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HRH2 P25021 3/20 0.33
▸ HRH1 P35367 3/20 0.33
▸ ACACB O00763 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ ACE P12821 1/20 0.32
▸ ITGA4 P13612 2/20 0.32
▸ ITGB7 P26010 2/20 0.32
▸ ITGB1 P05556 1/20 0.32

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
SCHEMBL17468600 1.00 FPR2 (0.34) FPR2KMT2AHRH2HRH1ACACB
SCHEMBL22384298 0.91 ACACB (0.35) FPR2KMT2AHRH2HRH1ACACB
SCHEMBL16305977 0.91 ACACB (0.35) FPR2KMT2AHRH2HRH1ACACB
SCHEMBL17459576 0.89 PYGL (0.38) FPR2ACACBNPC1TP53HPGD
SCHEMBL17459574 0.89 PYGL (0.38) FPR2ACACBNPC1TP53HPGD
SCHEMBL17468458 0.85 MAPT (0.42) KMT2A
SCHEMBL17834369 0.85 ACACB (0.41) FPR2KMT2AHRH2HRH1ACACB
SCHEMBL17468537 0.84 FPR2 (0.34) FPR2ACACBSMN1; SMN2ITGA4ITGB7
SCHEMBL17492936 0.84 FPR2 (0.34) FPR2ACACBSMN1; SMN2ITGA4ITGB7
SCHEMBL22384212 0.84 ACACB (0.36) FPR2KMT2AHRH2HRH1ACACB

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
EP-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 — — EP disclosed
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