SCHEMBL7402772

SCHEMBL7402772

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)CC

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.60
▸ KISS1R Q969F8 4/20 0.56
▸ EDNRA P25101 1/20 0.53
▸ ERBB2 P04626 1/20 0.51
▸ DPP3 Q9NY33 3/20 0.50
▸ CAPN1 P07384 2/20 0.50
▸ CTSB P07858 2/20 0.50
▸ IL23R Q5VWK5 2/20 0.50
▸ NPY1R P25929 1/20 0.49
▸ NPY2R P49146 1/20 0.49
▸ NPY4R P50391 1/20 0.49
▸ NPY5R Q15761 1/20 0.49
▸ CXCL8 P10145 2/20 0.49
▸ F13A1 P00488 1/20 0.49
▸ TGM2 P21980 1/20 0.49
▸ EED O75530 1/20 0.49
▸ CCKBR P32239 1/20 0.49

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
SCHEMBL7396077 0.99 MAGI3 (0.60) MAGI3KISS1REDNRAERBB2IL23R
SCHEMBL9068982 0.98 MAGI3 (0.58) MAGI3KISS1REDNRACAPN1CTSB
SCHEMBL7399755 0.95 MAGI3 (0.55) MAGI3KISS1RERBB2DPP3CAPN1
SCHEMBL7402771 0.95 KISS1R (0.57) MAGI3KISS1REDNRAERBB2CAPN1
SCHEMBL7396073 0.94 KISS1R (0.58) MAGI3KISS1RERBB2CAPN1CTSB
SCHEMBL7402113 0.94 MAGI3 (0.56) MAGI3KISS1RERBB2DPP3CAPN1
SCHEMBL30262151 0.87 KISS1R (0.59) MAGI3KISS1RNPY1RNPY2RNPY4R
SCHEMBL38664590 0.85 NPY1R (0.57) MAGI3KISS1RIL23RNPY1RNPY2R
SCHEMBL7400113 0.84 CALCRL (0.51) —
SCHEMBL7400882 0.84 EDNRA (0.71) MAGI3KISS1REDNRAERBB2IL23R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5504070-A ADMINISTERING OLIGOPEPTIDES, PHOSPHONATES AND MODIFIED AMINO ACIDS AS INHIBITORS BERLEX LABORATORIES, INC. (US) 1996-04-02 — — US claimed
US-5504070-A ADMINISTERING OLIGOPEPTIDES, PHOSPHONATES AND MODIFIED AMINO ACIDS AS INHIBITORS BERLEX LABORATORIES, INC. (US) 1996-04-02 — — US disclosed
WO-1993011154-A1 INHIBITORS OF THE CONVERSION OF BIG ENDOTHELIN TO ENDOTHELIN BERLEX LABORATORIES, INC. (US) 1993-06-10 — — WO disclosed
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