Sugi Predict

Sugi Predict / Compounds / SCHEMBL30349954

SCHEMBL30349954

SCHEMBL30349954

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CS)NC(=O)[C@H](CS)CC(=O)[C@H](CCCN=C(N)N)NC(=O)CN)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 4/20 0.55
▸ CXCR4 P61073 3/20 0.55
▸ AGTR1 P30556 3/20 0.54
▸ GNRHR P30968 1/20 0.54
▸ AGTR2 P50052 1/20 0.54
▸ RAMP3 O60896 1/20 0.52
▸ CALCR P30988 1/20 0.52
▸ F2 P00734 1/20 0.51
▸ HCRTR1 O43613 1/20 0.51
▸ HCRTR2 O43614 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
SCHEMBL29503471 1.00 TFPI (0.55) TFPICXCR4AGTR1GNRHRAGTR2
SCHEMBL30788346 0.83 TFPI (0.56) TFPICXCR4
SCHEMBL30788354 0.83 TFPI (0.55) TFPICXCR4
SCHEMBL30788340 0.83 F2 (0.59) TFPICXCR4CALCRF2HCRTR1
SCHEMBL30788343 0.81 F2 (0.57) TFPICXCR4CALCRF2HCRTR1
SCHEMBL30788336 0.81 F2 (0.57) TFPICXCR4CALCRF2HCRTR1
SCHEMBL30788361 0.81 NMUR2 (0.56) TFPI
SCHEMBL30954812 0.81 NPY2R (0.59) TFPICXCR4RAMP3CALCR
SCHEMBL30788353 0.81 CALCR (0.60) CXCR4CALCRF2HCRTR1HCRTR2
SCHEMBL30788360 0.80 F2 (0.55) TFPICXCR4CALCRF2HCRTR1

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-20240409594-A1 PHOTOACTIVATABLE ION CHANNEL MODULATOR Institut National de la Santé et de la Recherche Médicale (FR) 2024-12-12 — — US disclosed
EP-4419126-A1 PHOTOACTIVATABLE ION CHANNEL MODULATOR Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2024-08-28 — — EP disclosed
WO-2023067366-A1 PHOTOACTIVATABLE ION CHANNEL MODULATOR INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2023-04-27 — — WO disclosed
Send feedback