SCHEMBL9727929

SCHEMBL9727929

CC(C)C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)CC(=O)NC(=O)CCc1cnc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 7/20 0.51
▸ NMUR1 Q9HB89 7/20 0.51
▸ DRD1 P21728 1/20 0.47
▸ GNRHR P30968 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ MRGPRX2 Q96LB1 1/20 0.47
▸ NPY4R P50391 10/20 0.47
▸ NPY1R P25929 6/20 0.47
▸ NPY2R P49146 5/20 0.47
▸ NPY5R Q15761 5/20 0.47
▸ ABCB11 O95342 1/20 0.46
▸ EPHA2 P29317 1/20 0.46

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
SCHEMBL9630914 0.85 NMUR2 (0.53) NMUR2NMUR1OPRM1NPY4RNPY1R
SCHEMBL9631336 0.82 NPY4R (0.51) NMUR2NMUR1NPY4RNPY1RNPY2R
SCHEMBL9631995 0.82 NPY4R (0.52) NMUR2NMUR1NPY4RNPY1RNPY2R
SCHEMBL9852709 0.81 NPY4R (0.52) NMUR2NMUR1NPY4RNPY1RNPY2R
SCHEMBL9852750 0.80 NPY4R (0.58) NMUR2NMUR1OPRM1NPY4RNPY1R
SCHEMBL10588690 0.80 NPY4R (0.61) NMUR2NMUR1NPY4RNPY1RNPY2R
SCHEMBL10586963 0.80 NMUR2 (0.57) NMUR2NMUR1DRD1GNRHROPRM1
SCHEMBL11884818 0.78 NMUR2 (0.61) NMUR2NMUR1OPRM1NPY4RNPY1R
SCHEMBL11884805 0.78 NMUR2 (0.61) NMUR2NMUR1OPRM1NPY4RNPY1R
SCHEMBL9629910 0.77 NMUR2 (0.63) NMUR2NMUR1NPY4RNPY1RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 — — US disclosed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 — — EP disclosed
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