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Sugi Predict / Compounds / SCHEMBL9800715

SCHEMBL9800715

SCHEMBL9800715

O=C(N[C@@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 6/20 0.52
▸ P2RX1 P51575 1/20 0.49
▸ PYGL P06737 9/20 0.48
▸ CYP51A1 Q16850 3/20 0.43

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
SCHEMBL9800700 0.93 REN (0.51) RENP2RX1PYGL
SCHEMBL9800481 0.92 REN (0.52) RENP2RX1PYGLCYP51A1
SCHEMBL9800634 0.92 P2RX1 (0.49) RENP2RX1PYGL
SCHEMBL9800516 0.91 P2RX1 (0.48) RENP2RX1PYGL
SCHEMBL9800617 0.88 P2RX1 (0.49) RENP2RX1
SCHEMBL9800675 0.85 P2RX1 (0.50) RENP2RX1
SCHEMBL8909778 0.85 P2RX1 (0.50) RENP2RX1
SCHEMBL9800572 0.85 P2RX1 (0.53) RENP2RX1
SCHEMBL8909310 0.84 P2RX1 (0.70) RENP2RX1
SCHEMBL9800549 0.84 P2RX1 (0.70) RENP2RX1

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-0416373-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-03-13 — — EP disclosed