SCHEMBL9614289

SCHEMBL9614289

C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 7/20 0.47
▸ CFD P00746 1/20 0.47
▸ CTRB1 P17538 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ XIAP P98170 2/20 0.43
▸ BIRC3 Q13489 1/20 0.43
▸ BIRC2 Q13490 1/20 0.43
▸ MLX Q9UH92 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ F2 P00734 1/20 0.42

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
SCHEMBL30317756 0.90 CTRB1 (0.49) CTRB1KMT2AALDH1A1GAATSHR
SCHEMBL8902510 0.90 CTRB1 (0.49) CTRB1KMT2AALDH1A1GAATSHR
SCHEMBL29413336 0.90 CTRB1 (0.49) CTRB1KMT2AALDH1A1GAATSHR
SCHEMBL30688537 0.89 CTRB1 (0.44) CTRB1KMT2AXIAPMLXALDH1A1
SCHEMBL29413333 0.87 CTRB1 (0.46) CTRB1KMT2AALDH1A1GAATSHR
SCHEMBL8902887 0.87 CTRB1 (0.46) CTRB1KMT2AALDH1A1GAATSHR
SCHEMBL25404019 0.85 CTRB1 (0.48) CTRB1KMT2AALDH1A1GAATSHR
SCHEMBL25404023 0.85 CTRB1 (0.48) CTRB1KMT2AALDH1A1GAATSHR
SCHEMBL29211787 0.85 CTRB1 (0.48) CTRB1KMT2AALDH1A1GAATSHR
SCHEMBL24414109 0.85 KMT2A (0.48) CTRB1KMT2AALDH1A1GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0448687-A4 THERAPEUTIC DECAPEPTIDES — 1992-04-01 — — EP disclosed
US-5073624-A Therapeutic decapeptides ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 1991-12-17 — — US disclosed
EP-0448687-A1 THERAPEUTIC DECAPEPTIDES The Administrators of The Tulane Educational Fund (US) 1991-10-02 — — EP disclosed
WO-1991005563-A1 THERAPEUTIC DECAPEPTIDES THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 1991-05-02 — — WO disclosed
US-5003011-A Luteinizing hormone releasing hormone THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 1991-03-26 — — US disclosed
US-4866160-A Therapeutic decapeptides THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 1989-09-12 — — US disclosed
EP-0225746-A2 Therapeutic decapeptides The Administrators of The Tulane Educational Fund (US) 1987-06-16 — — EP disclosed
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