SCHEMBL8439028

SCHEMBL8439028

c1c[nH]c([C@@H]2CCNC2)n1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.49
HPGDS O60760 1/20 0.39
HTR3A P46098 1/20 0.39
ADRA2A P08913 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1B P35368 1/20 0.37
HTR2B P41595 4/20 0.37
HRH3 Q9Y5N1 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL2040683 0.89 ADRA1A (0.46) ADRA1AHPGDSADRA2AADRA1DADRA1B
SCHEMBL1299321 0.88 ADRA1A (0.52) ADRA1AHPGDSADRA2AADRA1DADRA1B
Hydrochloric Acid SCHEMBL9986840 0.87 ADRA1A (0.45) ADRA1AHPGDSADRA2AADRA1DADRA1B
Hydrochloric Acid SCHEMBL7417858 0.86 ADRA1A (0.50) ADRA1AHPGDSADRA2AADRA1DADRA1B
Bromide SCHEMBL9220604 0.86 ADRA1A (0.50) ADRA1AHPGDSADRA2AADRA1DADRA1B
Hydrochloric Acid SCHEMBL2517321 0.86 ADRA1A (0.50) ADRA1AHPGDSADRA2AADRA1DADRA1B
SCHEMBL1299173 0.84
SCHEMBL196337 0.79
SCHEMBL1494449 0.75
SCHEMBL184451 0.75 ADRA1A (0.55) ADRA1AADRA2AADRA1DADRA1BHTR2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0560613-A1 Antimicrobial carbapenem derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1993-09-15 EP disclosed