SCHEMBL8884834

SCHEMBL8884834

CCc1ccc2cccc(CONC(=O)C3CC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.50
NQO2 P16083 2/20 0.47
MTNR1B P49286 6/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PLG P00747 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
HSP90AA1 P07900 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
SCHEMBL8885914 0.84 MTNR1A (0.64) MTNR1ANQO2MTNR1B
SCHEMBL8883881 0.84 MTNR1A (0.69) MTNR1ANQO2MTNR1BMEN1KMT2A
SCHEMBL8619791 0.84 MTNR1A (0.72) MTNR1ANQO2MTNR1B
SCHEMBL8883232 0.82 EPHX1 (0.52) MTNR1ANQO2MTNR1BMEN1KMT2A
SCHEMBL27450734 0.80 MTNR1A (0.70) MTNR1ANQO2MTNR1B
SCHEMBL8885911 0.80 MTNR1A (0.70) MTNR1ANQO2MTNR1B
SCHEMBL8886521 0.78 HTR1D (0.50) MTNR1AMTNR1B
SCHEMBL8884628 0.78 EPHX1 (0.53) MTNR1ANQO2MTNR1BMEN1KMT2A
SCHEMBL8886732 0.77 NCEH1 (0.42) MTNR1ANQO2MTNR1BMEN1KMT2A
SCHEMBL3238625 0.73 CYP1A2 (0.55) MTNR1AMTNR1BSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5612368-A SKIN DISORDERS, MELATONINERGIC SYSTEMS, ANTIARRHYTHMIA AGENTS OR ANTIISCHEMIC AGENTS ADIR ET COMPAGNIE (FR) 1997-03-18 US disclosed