SCHEMBL7956112

SCHEMBL7956112

CC(OOc1ccccc1)[C@@H](N)CN

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.45
SCN4A P35499 2/20 0.40
HTR2A P28223 1/20 0.40
MAOA P21397 2/20 0.38
PTGS1 P23219 1/20 0.38
LMNA P02545 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP2A6 P11509 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
ANPEP P15144 1/20 0.36
LAP3 P28838 1/20 0.36

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
SCHEMBL7956104 1.00 TAAR1 (0.45) TAAR1SCN4AHTR2AMAOAPTGS1
SCHEMBL7956107 1.00 TAAR1 (0.45) TAAR1SCN4AHTR2AMAOAPTGS1
SCHEMBL7971274 0.82 TAAR1 (0.42) TAAR1SCN4AMAOAPTGS1LMNA
SCHEMBL7971270 0.82 TAAR1 (0.42) TAAR1SCN4AMAOAPTGS1LMNA
SCHEMBL7971268 0.82 TAAR1 (0.42) TAAR1SCN4AMAOAPTGS1LMNA
Anisole SCHEMBL28429653 0.73 CA4 (0.54) TAAR1MAOASLC6A2SLC6A4
SCHEMBL471824 0.72 CA4 (0.43) TAAR1SCN4AMAOAPTGS1LMNA
SCHEMBL7965736 0.72 SLC1A3 (0.45) TAAR1MAOASLC6A2SLC6A4SLC6A3
SCHEMBL7965733 0.72 SLC1A3 (0.45) TAAR1MAOASLC6A2SLC6A4SLC6A3
SCHEMBL7965740 0.72 SLC1A3 (0.45) TAAR1MAOASLC6A2SLC6A4SLC6A3

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-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US disclosed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP disclosed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO disclosed