SCHEMBL7957638

SCHEMBL7957638

CCC1=C(C(=O)O)C(c2ccc(F)cc2F)N(N(C=O)CCN[C@H]2CC[C@@](C#N)(c3ccccc3)CC2)C(=O)N1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 14/20 0.52
ADRA1A P35348 14/20 0.52
ADRA1B P35368 14/20 0.52
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR5A P47898 1/20 0.35
CYP2D6 P10635 1/20 0.34
F11 P03951 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 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
SCHEMBL7955141 1.00 ADRA1D (0.52) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL7944684 0.91 ADRA1D (0.49) ADRA1DADRA1AADRA1BMEN1KMT2A
Hydrochloric Acid SCHEMBL7957953 0.90 ADRA1D (0.49) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL6782946 0.85 ADRA1D (0.63) ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL8318805 0.84 ADRA1D (0.42) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL7978685 0.81 ADRA1A (0.53) ADRA1DADRA1AADRA1B
SCHEMBL6201662 0.78 ADRA1D (0.61) ADRA1DADRA1AADRA1B
SCHEMBL6785268 0.77 ADRA1D (0.60) ADRA1DADRA1AADRA1B
SCHEMBL7993242 0.77 ADRA1D (0.52) ADRA1DADRA1AADRA1BMEN1KMT2A
Hydrochloric Acid SCHEMBL7958003 0.77 ADRA1A (0.47) ADRA1DADRA1AADRA1BMEN1KMT2A

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