SCHEMBL22384175

SCHEMBL22384175

CC[C@H]1CC[C@H](c2ccc(-c3cnc(-c4ccc(C[C@H](NC(=O)OCc5ccccc5)C(=O)N5CC(C(C)=O)C5)cc4)nc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.42
▸ F13A1 P00488 1/20 0.42
▸ TGM2 P21980 1/20 0.42
▸ TGM1 P22735 1/20 0.42
▸ P2RX7 Q99572 6/20 0.39
▸ ITGA4 P13612 1/20 0.39
▸ ITGB7 P26010 1/20 0.39
▸ CTSK P43235 3/20 0.39
▸ CTSL P07711 2/20 0.39
▸ CTSS P25774 1/20 0.39
▸ ITGB3 P05106 3/20 0.38
▸ ITGA2B P08514 2/20 0.38
▸ ITGAV P06756 2/20 0.38
▸ FNTA P49354 1/20 0.38
▸ FNTB P49356 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ MAOA P21397 1/20 0.38

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
SCHEMBL17834477 0.94 CCR1 (0.42) CCR1F13A1TGM2TGM1P2RX7
SCHEMBL17968984 0.94 CCR1 (0.42) CCR1F13A1TGM2TGM1P2RX7
SCHEMBL19465506 0.94 CCR1 (0.42) CCR1F13A1TGM2TGM1P2RX7
SCHEMBL17834396 0.92 CCR1 (0.42) CCR1F13A1TGM2TGM1P2RX7
SCHEMBL17834397 0.91 P2RX7 (0.43) CCR1F13A1TGM2TGM1P2RX7
SCHEMBL22384156 0.91 P2RX7 (0.43) CCR1F13A1TGM2TGM1P2RX7
SCHEMBL17968796 0.91 P2RX7 (0.43) CCR1F13A1TGM2TGM1P2RX7
SCHEMBL17968795 0.91 P2RX7 (0.43) CCR1F13A1TGM2TGM1P2RX7
SCHEMBL17968792 0.88 ITGB3 (0.49) CCR1ITGA4ITGB7ITGB3ITGA2B
SCHEMBL17968791 0.88 ITGB3 (0.49) CCR1ITGA4ITGB7ITGB3ITGA2B

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-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
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