SCHEMBL7971279

SCHEMBL7971279

NCC(N)COCc1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
TACR1 P25103 8/20 0.43
HTR2A P28223 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
SLC1A1 P43005 1/20 0.37
APP P05067 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
MAOB P27338 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
SCHEMBL7964719 1.00 IDO1 (0.48) IDO1TACR1HTR2ATAAR1SLC1A1
SCHEMBL9066585 0.84 IDO1 (0.47) IDO1TACR1HTR2ATAAR1APP
SCHEMBL9066589 0.84 IDO1 (0.47) IDO1TACR1HTR2ATAAR1APP
SCHEMBL7965700 0.82 TACR1 (0.59) IDO1TACR1SLC1A1CA1CA2
SCHEMBL2781643 0.82 TACR1 (0.59) IDO1TACR1SLC1A1CA1CA2
SCHEMBL7967707 0.82 TACR1 (0.59) IDO1TACR1SLC1A1CA1CA2
SCHEMBL7964945 0.81 IDO1 (0.48) IDO1TACR1TAAR1SLC1A1APP
SCHEMBL7955762 0.81 IDO1 (0.48) IDO1TACR1TAAR1SLC1A1APP
SCHEMBL7968342 0.81 CHRNB2 (0.50) IDO1TACR1MAOB
SCHEMBL7968337 0.81 CHRNB2 (0.50) IDO1TACR1MAOB

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