SCHEMBL7955787

SCHEMBL7955787

N#Cc1ccc(COC[C@@H](N)CN)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.48
MAOB P27338 2/20 0.45
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
CYP2A6 P11509 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TACR1 P25103 3/20 0.39
ALOX5 P09917 1/20 0.39
GHSR Q92847 1/20 0.38
CYP3A4 P08684 1/20 0.37
IDO1 P14902 1/20 0.37
CHRM3 P20309 1/20 0.36
EGLN1 Q9GZT9 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
SCHEMBL7955790 1.00 LOXL2 (0.48) LOXL2MAOBRAB9ANPC1SMN1; SMN2
SCHEMBL5702469 0.83 MMP12 (0.47) LOXL2MAOBRAB9ANPC1SMN1; SMN2
SCHEMBL7965700 0.78 TACR1 (0.59) TACR1IDO1
SCHEMBL28887579 0.78 LOXL2 (0.59) LOXL2MAOBRAB9ANPC1SMN1; SMN2
SCHEMBL2781643 0.78 TACR1 (0.59) TACR1IDO1
SCHEMBL7967707 0.78 TACR1 (0.59) TACR1IDO1
SCHEMBL3401155 0.78 LOXL2 (0.56) LOXL2MAOBRAB9ANPC1SMN1; SMN2
SCHEMBL7955762 0.77 IDO1 (0.48) LOXL2MAOBTACR1IDO1
SCHEMBL7964945 0.77 IDO1 (0.48) LOXL2MAOBTACR1IDO1
SCHEMBL2608936 0.77 CYP2A6 (0.48) LOXL2MAOBRAB9ANPC1SMN1; SMN2

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