SCHEMBL7008671

SCHEMBL7008671

CCCC(C)NC(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccc(NC(=O)CC)cc3)c(CN(C)Cc3ccccc3)c2c1=O

nearest known ligand 0.88

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 20/20 0.88
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67

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
SCHEMBL7006717 0.89 GNRHR (0.89) GNRHRMEN1KMT2A
SCHEMBL7005734 0.89 GNRHR (0.74) GNRHRMEN1KMT2A
Hydrochloric Acid SCHEMBL7498171 0.89 GNRHR (0.88) GNRHRMEN1KMT2A
SCHEMBL5149294 0.88 GNRHR (0.83) GNRHRMEN1KMT2A
SCHEMBL7015901 0.86 GNRHR (1.00) GNRHRMEN1KMT2A
SCHEMBL7828327 0.84 GNRHR (1.00) GNRHRMEN1KMT2A
SCHEMBL7101852 0.84 GNRHR (0.82) GNRHRMEN1KMT2A
Hydrochloric Acid SCHEMBL7826617 0.83 GNRHR (0.99) GNRHRMEN1KMT2A
SCHEMBL7526343 0.83 GNRHR (0.90) GNRHRMEN1KMT2A
SCHEMBL7008400 0.83 GNRHR (0.73) GNRHRMEN1KMT2A

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-0756599-B1 BICYCLIC THIOPHENE DERIVATIVES AND USE AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-11-26 EP claimed
EP-0756599-B1 BICYCLIC THIOPHENE DERIVATIVES AND USE AS GONADOTROPIN RELEASING HORMONE ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-11-26 EP disclosed