SCHEMBL9057962

SCHEMBL9057962

CCCC(Cl)Oc1cccc2[nH]ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 4/20 0.49
HTR1A P08908 10/20 0.48
HTR1B P28222 2/20 0.47
ADRB2 P07550 3/20 0.43
ADRB1 P08588 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
LMNA P02545 2/20 0.43
ADRB3 P13945 2/20 0.43
MAPK1 P28482 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
CYP2D6 P10635 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL9057506 0.92 RHEB (0.47) RHEBHTR1AHTR1BADRB2ADRB1
SCHEMBL9057087 0.88 HTR1A (0.49) RHEBHTR1AHTR1BADRB2ADRB1
SCHEMBL13309274 0.80 HTR1B (0.52) RHEBHTR1AHTR1BADRB2ADRB1
SCHEMBL7084585 0.80 HTR1B (0.52) RHEBHTR1AHTR1BADRB2ADRB1
SCHEMBL3790955 0.77 HTR1B (0.54) RHEBHTR1AHTR1BADRB2ADRB1
SCHEMBL3794323 0.76 HTR1B (0.55) RHEBHTR1AHTR1BADRB2ADRB1
SCHEMBL10591822 0.76 HTR1A (0.55) RHEBHTR1AHTR1BADRB2ADRB1
SCHEMBL7079421 0.76 HTR1B (0.52) RHEBHTR1AHTR1BADRB2ADRB1
SCHEMBL502401 0.73 HTR1B (0.52) RHEBHTR1AHTR1BADRB2ADRB1
SCHEMBL13003014 0.73 HTR1A (0.50) RHEBHTR1AHTR1BADRB2ADRB1

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
WO-1996022290-A1 COMPOUNDS HAVING EFFECTS ON SEROTONIN-RELATED SYSTEMS ELI LILLY AND COMPANY (US) 1996-07-25 WO disclosed