SCHEMBL7965716

SCHEMBL7965716

NCC(N)COCc1cccc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.54
AGXT P21549 2/20 0.54
TACR1 P25103 10/20 0.49
MAOB P27338 3/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HCAR2 Q8TDS4 1/20 0.42
PARP15 Q460N3 1/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41

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
SCHEMBL7965713 1.00 IDO1 (0.54) IDO1AGXTTACR1MAOBTAAR1
SCHEMBL7965700 0.81 TACR1 (0.59) IDO1AGXTTACR1
SCHEMBL2781643 0.81 TACR1 (0.59) IDO1AGXTTACR1
SCHEMBL7967707 0.81 TACR1 (0.59) IDO1AGXTTACR1
SCHEMBL7968352 0.81 TACR1 (0.65) IDO1AGXTTACR1MAOBTAAR1
SCHEMBL7968356 0.81 TACR1 (0.65) IDO1AGXTTACR1MAOBTAAR1
SCHEMBL7971279 0.80 IDO1 (0.48) IDO1TACR1MAOBTAAR1
SCHEMBL7964719 0.80 IDO1 (0.48) IDO1TACR1MAOBTAAR1
Hydrochloric Acid SCHEMBL8935783 0.79 TACR1 (0.58) IDO1AGXTTACR1
SCHEMBL8965502 0.79 TACR1 (0.79) IDO1AGXTTACR1MAOB

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