SCHEMBL7944684

SCHEMBL7944684

CCC1=C(C(=O)OCc2ccccc2)C(c2ccc(F)cc2F)N(N(C=O)CCNC2CCC(C#N)(c3ccccc3)CC2)C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 15/20 0.49
ADRA1A P35348 15/20 0.49
ADRA1B P35368 15/20 0.49
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.33
HTR5A P47898 1/20 0.32

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
SCHEMBL7957638 0.91 ADRA1D (0.52) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL7955141 0.91 ADRA1D (0.52) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL6785268 0.87 ADRA1D (0.60) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7957953 0.86 ADRA1D (0.49) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL7989879 0.84 ADRA1A (0.55) ADRA1DADRA1AADRA1BMEN1KMT2A
Hydrochloric Acid SCHEMBL8318805 0.80 ADRA1D (0.42) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL7996583 0.78 ADRA1D (0.59) ADRA1DADRA1AADRA1B
SCHEMBL6782946 0.77 ADRA1D (0.63) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7944430 0.77 ADRA1D (0.58) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7952765 0.77 ADRA1D (0.58) ADRA1DADRA1AADRA1B

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
US-6228861-B1 BENIGN PROSTATIC HYPERPLASIA; ANTICHOLESTEROL AGENTS; IMPOTENCY; INTRAOCULAR PRESSURE; ANTIARRHYTHMIA AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-05-08 US disclosed
US-6172066-B1 HYPOTENSIVE AGENTS; ANTICHOLESTEROL AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-01-09 US disclosed