SCHEMBL7640404

SCHEMBL7640404

CC(CN)c1c[nH]c2ccc(O)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 9/20 0.67
▸ HTR2A P28223 7/20 0.67
▸ HTR2B P41595 6/20 0.67
▸ HTR1A P08908 5/20 0.57
▸ CYP2D6 P10635 3/20 0.57
▸ CYP2C9 P11712 3/20 0.57
▸ HTR1D P28221 3/20 0.57
▸ NFKB1 P19838 3/20 0.57
▸ HTR1B P28222 2/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ TSHR P16473 3/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ HTR7 P34969 2/20 0.54
▸ HTR3E A5X5Y0 1/20 0.54
▸ HTR3B O95264 1/20 0.54
▸ DRD1 P21728 1/20 0.54
▸ HTR1E P28566 1/20 0.54
▸ HTR1F P30939 1/20 0.54
▸ DRD3 P35462 1/20 0.54

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
SCHEMBL6978983 0.87 HTR2C (0.54) HTR2CHTR2AHTR2BHTR1ACYP2D6
SCHEMBL11096774 0.84 HTR2A (0.67) HTR2CHTR2AHTR2BHTR1ACYP2D6
SCHEMBL1120490 0.84 HTR2A (0.67) HTR2CHTR2AHTR2BHTR1ACYP2D6
SCHEMBL6469548 0.83 HTR2C (0.60) HTR2CHTR2AHTR2BHTR1ACYP2D6
SCHEMBL12352693 0.83 TRPV1 (0.55) HTR2CHTR2AHTR2BHTR1ACYP2D6
SCHEMBL6516528 0.83 HTR2C (0.55) HTR2CHTR2AHTR2BHTR1ACYP2D6
SCHEMBL29414816 0.83 HTR2C (0.55) HTR2CHTR2AHTR2BHTR1ACYP2D6
SCHEMBL10758547 0.83 HTR2A (0.65) HTR2CHTR2AHTR2BSLC6A4
SCHEMBL1247512 0.83 HTR2A (0.65) HTR2CHTR2AHTR2BSLC6A4KMT2A
SCHEMBL5232490 0.83 HTR2A (0.65) HTR2CHTR2AHTR2BHTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020173511-A1 Serotonergic compositions and methods for treatment of mild cognitive impairment WURTMAN RICHARD J (US) 2002-11-21 — — US disclosed
Send feedback