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Sugi Predict / Compounds / SCHEMBL3961412

SCHEMBL3961412

SCHEMBL3961412

N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CN)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ QRFPR Q96P65 7/20 0.46
▸ NPY4R P50391 10/20 0.41
▸ NPY5R Q15761 8/20 0.41
▸ NPY1R P25929 7/20 0.41
▸ NPY2R P49146 5/20 0.41
▸ C3AR1 Q16581 1/20 0.39
▸ SLC15A2 Q16348 1/20 0.39

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
SCHEMBL3961387 1.00 QRFPR (0.46) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL29569172 1.00 QRFPR (0.46) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL30193290 0.99 QRFPR (0.45) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL29435094 0.95 SLC15A2 (0.45) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL15757149 0.95 C3AR1 (0.42) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL15757154 0.95 C3AR1 (0.42) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL30062951 0.94 SLC15A2 (0.44) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL29556238 0.94 C3AR1 (0.41) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL30078669 0.94 C3AR1 (0.41) QRFPRNPY4RNPY5RNPY1RNPY2R
SCHEMBL29533805 0.93 QRFPR (0.43) QRFPRNPY4RNPY5RNPY1RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3368071-A1 INJECTABLE BOTULINUM TOXIN FORMULATIONS AND METHODS OF USE THEREOF HAVING LONG DURATION OF THERAPEUTIC OR COSMETIC EFFECT ReVance Therapeutics, Inc. (US) 2018-09-05 — — EP disclosed
WO-2017075468-A1 INJECTABLE BOTULINUM TOXIN FORMULATIONS AND METHODS OF USE THEREOF HAVING LONG DURATION OF THERAPEUTIC OR COSMETIC EFFECT REVANCE THERAPEUTICS, INC. (US) 2017-05-04 — — WO disclosed
EP-1861112-A4 COMPOSITIONS AND METHODS FOR TOPICAL APPLICATION AND TRANSDERMAL DELIVERY OF BOTULINUM TOXINS REVANCE THERAPEUTICS INC (US) 2009-07-22 — — EP disclosed
EP-1861112-A2 COMPOSITIONS AND METHODS FOR TOPICAL APPLICATION AND TRANSDERMAL DELIVERY OF BOTULINUM TOXINS Revance Therapeutics, Inc. (US) 2007-12-05 — — EP disclosed
EP-1729821-A2 COMPOSITIONS AND METHODS FOR TOPICAL APPLICATION AND TRANSDERMAL DELIVERY OF BOTULINUM TOXINS ReVance Therapeutics, Inc. (US) 2006-12-13 — — EP disclosed
WO-2006094263-A2 COMPOSITIONS AND METHODS FOR TOPICAL APPLICATION AND TRANSDERMAL DELIVERY OF BOTULINUM TOXINS REVANCE THERAPEUTICS, INC. (US) 2006-09-08 — — WO disclosed
WO-2005084410-A9 COMPOSITIONS AND METHODS FOR TOPICAL APPLICATION AND TRANSDERMAL DELIVERY OF BOTULINUM TOXINS ESSENTIA BIOSYSTEMS INC (US) 2006-03-16 — — WO disclosed
WO-2005084410-A2 COMPOSITIONS AND METHODS FOR TOPICAL APPLICATION AND TRANSDERMAL DELIVERY OF BOTULINUM TOXINS ESSENTIA BIOSYSTEMS, INC. (US) 2005-09-15 — — WO disclosed