SCHEMBL7412978

SCHEMBL7412978

COc1cccc(C(CN)CCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.51
MTNR1A P48039 3/20 0.50
MTNR1B P49286 3/20 0.50
TAAR1 Q96RJ0 3/20 0.50
ALDH1A1 P00352 1/20 0.46
MAOB P27338 4/20 0.45

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
SCHEMBL20052924 1.00 CASR (0.51) CASRMTNR1AMTNR1BTAAR1ALDH1A1
SCHEMBL7413751 0.89 CASR (0.47) CASRMTNR1AMTNR1BTAAR1
SCHEMBL7405335 0.89 CASR (0.47) CASRMTNR1AMTNR1BTAAR1
SCHEMBL26152585 0.87 MTNR1A (0.61) CASRMTNR1AMTNR1BTAAR1ALDH1A1
SCHEMBL5311110 0.85 MTNR1A (0.62) CASRMTNR1AMTNR1BTAAR1ALDH1A1
SCHEMBL6209733 0.84 ALDH1A1 (0.64) TAAR1ALDH1A1
SCHEMBL11081355 0.83 AOC3 (0.54) CASRMTNR1AMTNR1BTAAR1ALDH1A1
SCHEMBL7411654 0.82 AOC3 (0.48) CASRMTNR1AMTNR1BTAAR1ALDH1A1
SCHEMBL22335122 0.81 CASR (0.58) CASRMTNR1AMTNR1BTAAR1ALDH1A1
SCHEMBL7169569 0.79 AOC3 (0.56) CASRMTNR1AMTNR1BMAOB

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