Sugi Predict

Sugi Predict / Compounds / SCHEMBL9629975

SCHEMBL9629975

SCHEMBL9629975

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 7/20 0.59
▸ NMUR1 Q9HB89 7/20 0.59
▸ EPHA2 P29317 3/20 0.53
▸ OPRM1 P35372 7/20 0.52
▸ OPRK1 P41145 6/20 0.52
▸ GNRHR P30968 2/20 0.51
▸ DRD1 P21728 1/20 0.51
▸ MRGPRX2 Q96LB1 1/20 0.51
▸ ABCB11 O95342 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
SCHEMBL9629979 0.93 NMUR2 (0.60) NMUR2NMUR1EPHA2OPRM1OPRK1
SCHEMBL9631335 0.92 NMUR2 (0.63) NMUR2NMUR1EPHA2OPRM1OPRK1
SCHEMBL9629904 0.91 NMUR2 (0.64) NMUR2NMUR1EPHA2OPRM1OPRK1
SCHEMBL9629933 0.91 NMUR2 (0.60) NMUR2NMUR1EPHA2OPRM1OPRK1
SCHEMBL9632036 0.89 NMUR2 (0.58) NMUR2NMUR1EPHA2OPRM1OPRK1
SCHEMBL13086158 0.79 NMUR2 (0.64) NMUR2NMUR1EPHA2OPRM1OPRK1
SCHEMBL11197090 0.78 GNRHR (0.58) NMUR2NMUR1OPRM1GNRHRDRD1
SCHEMBL11316989 0.78 PTGS1 (0.63) NMUR2NMUR1EPHA2OPRM1OPRK1
SCHEMBL26454604 0.78 NMUR2 (0.60) NMUR2NMUR1OPRM1OPRK1
SCHEMBL10586963 0.78 NMUR2 (0.57) NMUR2NMUR1EPHA2OPRM1OPRK1

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 6 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-0480918-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1992-04-22 — — EP disclosed
EP-0480918-A4 REDUCED SIZE LHRH ANALOGS. ABBOTT LAB (US) 1991-06-04 — — EP disclosed
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 — — EP disclosed
WO-1989007451-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 — — WO disclosed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 — — EP disclosed
Send feedback