SCHEMBL5729049

SCHEMBL5729049

C[C@H](CN)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
TAAR1 Q96RJ0 5/20 0.46
MAOA P21397 1/20 0.42
PTGS1 P23219 1/20 0.42
LMNA P02545 1/20 0.42
HTR2A P28223 1/20 0.41
LTA4H P09960 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SLC6A4 P31645 1/20 0.39
CA4 P22748 1/20 0.39

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
SCHEMBL3160069 1.00 MTNR1A (0.50) MTNR1AMTNR1BTAAR1MAOAPTGS1
Bromide SCHEMBL11719047 0.98 MTNR1A (0.49) MTNR1AMTNR1BTAAR1MAOAPTGS1
SCHEMBL9499616 0.92 LTA4H (0.48) MTNR1AMTNR1BMAOALTA4H
SCHEMBL7582723 0.83 MTNR1A (0.47) MTNR1AMTNR1BTAAR1MAOAPTGS1
SCHEMBL9870637 0.81 MTNR1A (0.53) MTNR1AMTNR1BMAOAPTGS1LMNA
SCHEMBL9870647 0.81 MTNR1A (0.53) MTNR1AMTNR1BMAOAPTGS1LMNA
Methylamine SCHEMBL27820382 0.80 MTNR1A (0.49) MTNR1AMTNR1BMAOAPTGS1LMNA
SCHEMBL9856089 0.80 ACACB (0.40) MTNR1AMTNR1BLTA4H
SCHEMBL19286562 0.80 TDP1 (0.47) MTNR1AMTNR1BMAOAPOLB
SCHEMBL20133454 0.80 ACHE (0.41) MTNR1AMTNR1BTAAR1LMNAPOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed
US-5672588-A Purine derivatives NOVO NORDISK A/S (DK) 1997-09-30 US disclosed
EP-0603348-A1 PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1994-06-29 EP disclosed
WO-1993023418-A1 PURINE DERIVATIVES NOVO NORDISK A/S (DK) 1993-11-25 WO disclosed