SCHEMBL7599847

SCHEMBL7599847

CCC(=O)NC1COc2c(cccc2OC)C1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.60
MTNR1B P49286 6/20 0.60
CYP1A2 P05177 1/20 0.60
MAPT P10636 1/20 0.60
CYP2C9 P11712 1/20 0.60
ALOX15 P16050 1/20 0.60
ROCK2 O75116 1/20 0.45
MALT1 Q9UDY8 2/20 0.45
HTR7 P34969 1/20 0.44

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
SCHEMBL7599844 1.00 MTNR1A (0.60) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL7598059 0.84 MTNR1A (0.47) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL26862817 0.81 MTNR1A (0.49) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL17335643 0.80 MTNR1A (0.81) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL8391662 0.79 DRD2 (0.55) MTNR1AMTNR1BROCK2MALT1HTR7
SCHEMBL8391659 0.79 DRD2 (0.55) MTNR1AMTNR1BROCK2MALT1HTR7
SCHEMBL8391660 0.79 DRD2 (0.55) MTNR1AMTNR1BROCK2MALT1HTR7
SCHEMBL8390675 0.79 DRD2 (0.60) HTR7
SCHEMBL8390678 0.79 DRD2 (0.60) HTR7
SCHEMBL8390680 0.79 DRD2 (0.60) HTR7

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
EP-0781280-B1 DERIVATIVES OF BENZOPYRAN AND OF BENZOTHIOPYRAN, THEIR PREPARATION AND THEIR USE AS AGONISTS OF DOPAMINERGIC RECEPTORS ZAMBON SPA (IT) 2002-11-06 EP disclosed
EP-0781280-A1 DERIVATIVES OF BENZOPYRAN AND OF BENZOTHIOPYRAN, THEIR PREPARATION AND THEIR USE AS AGONISTS OF DOPAMINERGIC RECEPTORS ZAMBON GROUP S.p.A. (IT) 1997-07-02 EP disclosed
WO-1996008489-A1 DERIVATIVES OF BENZOPYRAN AND OF BENZOTHIOPYRAN, THEIR PREPARATION AND THEIR USE AS AGONISTS OF DOPAMINERGIC RECEPTORS ZAMBON GROUP S.P.A. (IT) 1996-03-21 WO disclosed