SCHEMBL8540423

SCHEMBL8540423

NC(CCCCn1ccnc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 18/20 0.70
EGLN3 Q9H6Z9 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
SCHEMBL31754247 0.95 TBXAS1 (0.63) TBXAS1EGLN3
SCHEMBL24295754 0.95 TBXAS1 (0.63) TBXAS1EGLN3
SCHEMBL5323162 0.89 TBXAS1 (0.58) TBXAS1EGLN3
SCHEMBL27254702 0.81 TBXAS1 (0.48) TBXAS1EGLN3
SCHEMBL11274189 0.80 TBXAS1 (1.00) TBXAS1
SCHEMBL11293768 0.80 TBXAS1 (1.00) TBXAS1
SCHEMBL11274186 0.80 TBXAS1 (1.00) TBXAS1
Hydrochloric Acid SCHEMBL11303291 0.80 TBXAS1 (1.00) TBXAS1
Hydrochloric Acid SCHEMBL11279568 0.79 TBXAS1 (1.00) TBXAS1
Hydrochloric Acid SCHEMBL11294217 0.79 TBXAS1 (1.00) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0668874-B1 LHRH ANTAGONISTS AND INTERMEDIATE PRODUCTS SCHERING AG (DE) 1998-08-26 EP disclosed
US-5527777-A TREATMENT OF PROSTATE CANCER, ANTIFERTILITY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1996-06-18 US disclosed
EP-0668874-A1 LHRH ANTAGONISTS AND INTERMEDIATE PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1995-08-30 EP disclosed
WO-1992020711-A2 LHRH ANTAGONISTS AND INTERMEDIATE PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-11-26 WO disclosed