SCHEMBL7842576

SCHEMBL7842576

O=C1CCC(c2c[nH]c3ccc(COCc4ccccc4)cc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
OPRL1 P41146 1/20 0.47
IKBKB O14920 1/20 0.43
HTR1D P28221 5/20 0.42
HTR1B P28222 5/20 0.42
BACE1 P56817 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 2/20 0.41
HTR1A P08908 1/20 0.41
SLC6A4 P31645 1/20 0.40
CYP2C9 P11712 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39
THPO P40225 1/20 0.39
ADRB2 P07550 1/20 0.39
HTR2C P28335 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39

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
SCHEMBL7842998 0.84 HTR1D (0.45) HTR1DHTR1BCYP1A2CYP3A4HTR1A
SCHEMBL7841722 0.80 HTR1D (0.45) OPRM1OPRK1OPRL1HTR1DHTR1B
SCHEMBL7844484 0.78 HTR1D (0.48) OPRM1OPRK1OPRL1HTR1DHTR1B
SCHEMBL7808829 0.77 HTR1B (0.43) OPRM1OPRK1OPRL1HTR1DHTR1B
SCHEMBL7843750 0.75 HTR1B (0.46) OPRM1OPRK1OPRL1HTR1DHTR1B
SCHEMBL628780 0.75 HTR2C (0.66) ALDH1A1ADRB2HTR2CIDO1
SCHEMBL7832558 0.74 HTR1D (0.44) HTR1DHTR1BHTR1ASLC6A4IDO1
SCHEMBL2217699 0.73 SLC6A4 (0.56) IKBKBHTR1DHTR1BCYP1A2CYP3A4
SCHEMBL5793597 0.73 SLC6A4 (0.56) OPRM1OPRK1OPRL1HTR1BCYP2C19
SCHEMBL6634183 0.73 SLC6A4 (0.56) OPRM1OPRK1OPRL1IKBKBHTR1D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147083-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-24 EP disclosed
WO-2000040554-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO disclosed