SCHEMBL7978685

SCHEMBL7978685

COCC1=C(C(=O)O)C(c2ccc(F)c(F)c2)N(N(C=O)CCNC2CCC(C#N)(c3ccccc3)CC2)C(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 20/20 0.53
ADRA1D P25100 19/20 0.53
ADRA1B P35368 19/20 0.53

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
SCHEMBL7996583 0.95 ADRA1D (0.59) ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL7944430 0.95 ADRA1D (0.58) ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL7952765 0.95 ADRA1D (0.58) ADRA1AADRA1DADRA1B
SCHEMBL7989879 0.92 ADRA1A (0.55) ADRA1AADRA1DADRA1B
SCHEMBL7993242 0.89 ADRA1D (0.52) ADRA1AADRA1DADRA1B
SCHEMBL7996589 0.89 ADRA1D (0.51) ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL7958003 0.89 ADRA1A (0.47) ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL7952658 0.87 ADRA1D (0.57) ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL7955184 0.86 ADRA1A (0.51) ADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL7955144 0.85 ADRA1A (0.48) ADRA1AADRA1DADRA1B

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
US-6228861-B1 BENIGN PROSTATIC HYPERPLASIA; ANTICHOLESTEROL AGENTS; IMPOTENCY; INTRAOCULAR PRESSURE; ANTIARRHYTHMIA AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-05-08 US disclosed
EP-0866708-A4 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 1999-05-06 EP disclosed
EP-0866708-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-09-30 EP disclosed
WO-1997017969-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-05-22 WO disclosed