SCHEMBL7971268

SCHEMBL7971268

CC(Oc1ccccc1)C(N)CN

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.42
MAOA P21397 2/20 0.39
PTGS1 P23219 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
LMNA P02545 1/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP2A6 P11509 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
SCN4A P35499 2/20 0.37

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
SCHEMBL7971274 1.00 TAAR1 (0.42) TAAR1MAOAPTGS1MTNR1AMTNR1B
SCHEMBL7971270 1.00 TAAR1 (0.42) TAAR1MAOAPTGS1MTNR1AMTNR1B
SCHEMBL7956112 0.82 TAAR1 (0.45) TAAR1MAOAPTGS1LMNASLC6A2
SCHEMBL7956107 0.82 TAAR1 (0.45) TAAR1MAOAPTGS1LMNASLC6A2
SCHEMBL7956104 0.82 TAAR1 (0.45) TAAR1MAOAPTGS1LMNASLC6A2
SCHEMBL7160865 0.79 KDM4E (0.41) TAAR1MAOAPTGS1MTNR1AMTNR1B
SCHEMBL27839110 0.78 MTNR1A (0.45) MTNR1AMTNR1BLMNASLC6A3
SCHEMBL1453272 0.78 CA4 (0.48) MAOAPTGS1MTNR1AMTNR1BLMNA
SCHEMBL3160069 0.77 MTNR1A (0.50) TAAR1MAOAPTGS1MTNR1AMTNR1B
SCHEMBL5729049 0.77 MTNR1A (0.50) TAAR1MAOAPTGS1MTNR1AMTNR1B

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