SCHEMBL7656731

SCHEMBL7656731

COc1cccc(C(CNC(=O)Cc2c(Cl)cncc2Cl)C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.43
MTNR1B P49286 8/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GRK2 P25098 1/20 0.41
GRK5 P34947 1/20 0.41
GRK3 P35626 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PDE4D Q08499 1/20 0.40
DGAT2 Q96PD7 2/20 0.40
RORC P51449 1/20 0.40

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
SCHEMBL7408317 0.86 MTNR1A (0.51) MTNR1AMTNR1BSMN1; SMN2GRK2GRK5
SCHEMBL7377866 0.86 MTNR1A (0.48) MTNR1AMTNR1BSMN1; SMN2MEN1KMT2A
SCHEMBL7658025 0.85 MTNR1A (0.53) MTNR1AMTNR1BSMN1; SMN2GRK2GRK5
SCHEMBL7653203 0.84 MTNR1A (0.51) MTNR1AMTNR1BGRK2GRK5GRK3
SCHEMBL7655897 0.80 MTNR1A (0.45) MTNR1AMTNR1B
SCHEMBL7411156 0.78 MTNR1A (0.52) MTNR1AMTNR1BMEN1KMT2APDE4D
SCHEMBL7658223 0.78 MTNR1A (0.52) MTNR1AMTNR1BMEN1KMT2APDE4D
SCHEMBL7653083 0.76 MEN1 (0.53) SMN1; SMN2MEN1KMT2AGRK2GRK5
SCHEMBL7655794 0.76 ALDH1A1 (0.45) MTNR1AMTNR1BSMN1; SMN2ALDH1A1PDE4D
SCHEMBL18403140 0.66 AOC3 (0.50) MTNR1AMTNR1B

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-6358973-B1 FOR THERAPY OF ALLERGIC OR INFLAMMATORY DISEASE ZAMBON GROUP S.P.A. (IT) 2002-03-19 US disclosed