SCHEMBL7408317

SCHEMBL7408317

COc1cccc(C(CNC(=O)Cc2c(Cl)cncc2Cl)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.51
MTNR1B P49286 6/20 0.51
BCHE P06276 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
PTGS2 P35354 2/20 0.43
CASR P41180 1/20 0.43
DGAT2 Q96PD7 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRK2 P25098 1/20 0.42
GRK5 P34947 1/20 0.42
GRK3 P35626 1/20 0.42
GPR139 Q6DWJ6 2/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL7656731 0.86 MTNR1A (0.43) MTNR1AMTNR1BDGAT2SMN1; SMN2GRK2
SCHEMBL7658025 0.86 MTNR1A (0.53) MTNR1AMTNR1BDGAT2SMN1; SMN2GRK2
SCHEMBL7377866 0.85 MTNR1A (0.48) MTNR1AMTNR1BDGAT2SMN1; SMN2GRK2
SCHEMBL7653203 0.85 MTNR1A (0.51) MTNR1AMTNR1BCASRDGAT2GRK2
SCHEMBL7658223 0.82 MTNR1A (0.52) MTNR1AMTNR1BBCHEPDE4D
SCHEMBL7411156 0.82 MTNR1A (0.52) MTNR1AMTNR1BBCHEPDE4D
SCHEMBL7655897 0.81 MTNR1A (0.45) MTNR1AMTNR1B
SCHEMBL7655794 0.81 ALDH1A1 (0.45) MTNR1AMTNR1BSMN1; SMN2PDE4D
SCHEMBL7653083 0.76 MEN1 (0.53) SMN1; SMN2GRK2GRK5GRK3PDE4D
SCHEMBL9114052 0.73 TACR1 (0.64) MTNR1AMTNR1BBCHEGPR139

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-6358973-B1 FOR THERAPY OF ALLERGIC OR INFLAMMATORY DISEASE ZAMBON GROUP S.P.A. (IT) 2002-03-19 US disclosed
EP-1121353-A1 BENZAZINE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.p.A. (IT) 2001-08-08 EP disclosed
WO-2000021947-A1 BENZAZINE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 2000-04-20 WO disclosed