SCHEMBL7413751

SCHEMBL7413751

COc1cccc(C(CN)CCCCCCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.47
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
OPRM1 P35372 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
HTR2A P28223 1/20 0.44
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7405335 1.00 CASR (0.47) CASRMTNR1AMTNR1BTAAR1OPRM1
SCHEMBL20052924 0.89 CASR (0.51) CASRMTNR1AMTNR1BTAAR1
SCHEMBL7412978 0.89 CASR (0.51) CASRMTNR1AMTNR1BTAAR1
SCHEMBL14244978 0.82 HTR2A (0.53) SIGMAR1HTR2A
SCHEMBL5311110 0.81 MTNR1A (0.62) CASRMTNR1AMTNR1BTAAR1
SCHEMBL11081355 0.79 AOC3 (0.54) CASRMTNR1AMTNR1BTAAR1L3MBTL1
SCHEMBL7652332 0.79 CASR (0.46) CASRMTNR1AMTNR1BOPRM1SIGMAR1
SCHEMBL7656005 0.79 CASR (0.46) CASRMTNR1AMTNR1BOPRM1SIGMAR1
SCHEMBL5180963 0.78 L3MBTL1 (0.49) MTNR1AMTNR1BL3MBTL1
SCHEMBL7411654 0.78 AOC3 (0.48) CASRMTNR1AMTNR1BTAAR1L3MBTL1

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