SCHEMBL6013384

SCHEMBL6013384

N[C@@H](Cc1c[nH]cn1)C(=O)N(C(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12)[C@@H](CC1CCCCC1)[C@@H](O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 17/20 0.43
▸ CTSS P25774 2/20 0.38
▸ METAP2 P50579 1/20 0.38
▸ METAP1 P53582 1/20 0.38

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
Cinnamic Acid SCHEMBL1648438 0.94 REN (0.39) RENCTSSMETAP2METAP1
SCHEMBL6013387 0.81 REN (0.57) REN
SCHEMBL7318657 0.79 METAP2 (0.40) RENMETAP2METAP1
SCHEMBL7318663 0.79 METAP2 (0.40) RENMETAP2METAP1
Hydrochloric Acid SCHEMBL7354438 0.79 METAP2 (0.40) RENMETAP2METAP1
Cinnamic Acid SCHEMBL1648436 0.76 REN (0.51) REN
SCHEMBL10421591 0.76 REN (0.56) REN
SCHEMBL7331453 0.76 REN (0.51) REN
SCHEMBL10422508 0.75 REN (0.52) REN
SCHEMBL10617776 0.75 REN (0.55) REN

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
EP-1631260-A2 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN Transform Pharmaceuticals, Inc. (US) 2006-03-08 — — EP disclosed
WO-2004078163-A2 PHARMACEUTICAL CO-CRYSTAL COMPOSITIONS OF DRUGS SUCH AS CARBAMAZEPINE, CELECOXIB, OLANZAPINE, ITRACONAZOLE, TOPIRAMATE, MODAFINIL, 5-FLUOROURACIL, HYDROCHLOROTHIAZIDE, ACETAMINOPHEN, ASPIRIN, FLURBIPROFEN, PHENYTOIN AND IBUPROFEN TRANSFORM PHARMACEUTICALS, INC. (US) 2004-09-16 — — WO disclosed
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