SCHEMBL7216822

SCHEMBL7216822

NCCCC1CNCCC1(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
ARG1 P05089 2/20 0.38
ARG2 P78540 2/20 0.38
MAOB P27338 5/20 0.38
HTR2A P28223 4/20 0.37
MAOA P21397 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIA1 P42261 2/20 0.35
GRIA2 P42262 2/20 0.35
GRIA3 P42263 2/20 0.35
GRIA4 P48058 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33

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
SCHEMBL7237713 0.89 KIF11 (0.40) OPRM1MAOBMAOATACR1
SCHEMBL6847573 0.83 OPRM1 (0.37) OPRM1ARG1ARG2MAOBHTR2A
SCHEMBL8642209 0.82 HTR2A (0.38) OPRM1HTR2AHTR2CHTR2BHRH1
SCHEMBL7218304 0.80 OPRM1 (0.48) OPRM1
SCHEMBL7244779 0.80 SLC6A4 (0.42) OPRM1ARG1ARG2MAOBHTR2A
SCHEMBL6961426 0.79 SLC6A4 (0.39) MAOBMAOAHTR2CHTR2BTACR1
SCHEMBL7245785 0.78 ARG1 (0.36) OPRM1ARG1ARG2MAOBHTR2A
SCHEMBL9396813 0.76 SLC6A2 (0.40) ARG1ARG2MAOBHTR2C
SCHEMBL28440775 0.75 OPRM1 (0.36) OPRM1HTR2AHTR2BTACR1
SCHEMBL6966857 0.75 SIGMAR1 (0.41) OPRM1ARG1ARG2HTR2C

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-6620815-B1 Selective antagonists for human alpha 1A receptors; benign prostatic hyperplasia, impotency, cardiac arrhythmia treatment; anticholesterol agents; intraocular pressure reduction SYNAPTIC PHARMACEUTICAL CORPORATION 2003-09-16 US disclosed
US-6159990-A Oxazolidinones as α1A receptor antagonists SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-12-12 US disclosed