SCHEMBL8690937

SCHEMBL8690937

[CH2]CCC(c1c[nH]c2ccccc12)C(C1=CC=CCC1)C1=COC=CO1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.32
FFAR1 O14842 2/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL8691126 0.94 GPR84 (0.32) GPR84FFAR1HTR2AHTR2CHTR2B
SCHEMBL7834306 0.88 HDAC3 (0.33) GPR84FFAR1ALDH1A1TP53CYP1A2
SCHEMBL8690899 0.88 MPO (0.31)
SCHEMBL8690809 0.85 HTR2B (0.38) GPR84ALDH1A1CYP1A2CYP2D6HTR2A
SCHEMBL8692253 0.81 MPO (0.31) GPR84
SCHEMBL7828217 0.71 HTR1A (0.39) ALDH1A1ALOX15HTR2A
SCHEMBL8690737 0.69 HTR2C (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4181994 0.65
SCHEMBL4667672 0.63
SCHEMBL3747922 0.62

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
US-5750724-A SEROTONIN 5-HT REUPTAKE INHIBITORS; ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-12 US claimed
US-5750724-A SEROTONIN 5-HT REUPTAKE INHIBITORS; ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-12 US disclosed