SCHEMBL1401268

SCHEMBL1401268

CN[C@H](Cc1ccc2ccccc2c1)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N1CCC(N(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.48
▸ CAPN1 P07384 2/20 0.43
▸ CTSB P07858 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ TACR1 P25103 11/20 0.41
▸ GHSR Q92847 1/20 0.41
▸ CYP51A1 Q16850 1/20 0.40

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
SCHEMBL1401593 0.92 F2 (0.50) OPRD1CAPN1CTSBF2MMP9
SCHEMBL1401188 0.91 OPRD1 (0.44) OPRD1CAPN1CTSBF2MMP9
SCHEMBL1401284 0.88 HSD17B10 (0.47) CAPN1F2MMP9MMP8GHSR
SCHEMBL1401582 0.86 F2 (0.48) OPRD1F2TACR1CYP51A1
SCHEMBL1401107 0.85 TACR1 (0.42) F2TACR1
SCHEMBL1401110 0.85 TACR1 (0.42) F2TACR1
SCHEMBL3392487 0.84 F2 (0.45) CAPN1F2MMP9MMP8TACR1
SCHEMBL1401075 0.83 TACR1 (0.47) TACR1
SCHEMBL1401262 0.82 F10 (0.43) CAPN1TACR1GHSR
SCHEMBL3361699 0.81 CYP51A1 (0.46) OPRD1F2CYP51A1

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-1100824-B1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2011-03-02 — — EP claimed
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