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SCHEMBL7402771

SCHEMBL7402771

CCC(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(=O)O)C(N)=O)C(C)O)C(C)C)C(C)CC

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 4/20 0.57
▸ MAGI3 Q5TCQ9 1/20 0.56
▸ CAPN1 P07384 2/20 0.53
▸ CTSB P07858 2/20 0.53
▸ CCKBR P32239 9/20 0.52
▸ ERBB2 P04626 1/20 0.52
▸ CALCRL Q16602 1/20 0.51
▸ IL23R Q5VWK5 1/20 0.51
▸ EDNRA P25101 1/20 0.51

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
SCHEMBL7396073 0.99 KISS1R (0.58) KISS1RMAGI3CAPN1CTSBCCKBR
SCHEMBL7396077 0.95 MAGI3 (0.60) KISS1RMAGI3ERBB2IL23REDNRA
SCHEMBL7402772 0.95 MAGI3 (0.60) KISS1RMAGI3CAPN1CTSBCCKBR
SCHEMBL9068982 0.93 MAGI3 (0.58) KISS1RMAGI3CAPN1CTSBCCKBR
SCHEMBL7399755 0.90 MAGI3 (0.55) KISS1RMAGI3CAPN1CTSBERBB2
SCHEMBL7402113 0.90 MAGI3 (0.56) KISS1RMAGI3CAPN1CTSBERBB2
SCHEMBL9082723 0.84 CALCRL (0.55) KISS1RCAPN1CTSBCALCRL
SCHEMBL30262151 0.83 KISS1R (0.59) KISS1RMAGI3
SCHEMBL38664590 0.83 NPY1R (0.57) KISS1RMAGI3CCKBRIL23R
SCHEMBL7400880 0.83 EDNRA (0.69) KISS1RMAGI3CCKBRERBB2EDNRA

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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