SCHEMBL18645892

SCHEMBL18645892

Fc1cccc2[nH]cc(C3CCCCC3)c12

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.60
HTR1A P08908 1/20 0.52
HTR2A P28223 5/20 0.48
FFAR1 O14842 1/20 0.47
GPR84 Q9NQS5 1/20 0.47
HTR2C P28335 3/20 0.41
ADRB2 P07550 1/20 0.41
HTR1F P30939 1/20 0.40
HTR2B P41595 1/20 0.40
ABCB1 P08183 1/20 0.39
ADRA1D P25100 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38

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
SCHEMBL5387687 0.86 SLC6A4 (0.59) SLC6A4HTR1AHTR2AFFAR1GPR84
SCHEMBL6638279 0.83 SLC6A4 (0.56) SLC6A4HTR1AHTR2AFFAR1GPR84
SCHEMBL27779713 0.82 SLC6A4 (0.59) SLC6A4HTR1AHTR2AFFAR1GPR84
SCHEMBL30877225 0.81 SLC6A4 (0.54) SLC6A4HTR1AHTR2AHTR2CHTR1F
SCHEMBL30711563 0.79 SLC6A4 (0.55) SLC6A4HTR1AHTR2AFFAR1GPR84
SCHEMBL6640448 0.79 SLC6A4 (0.52) SLC6A4HTR1AHTR2AFFAR1GPR84
SCHEMBL6087284 0.78 SLC6A4 (0.54) SLC6A4HTR1AHTR2AFFAR1GPR84
SCHEMBL8878576 0.78 SLC6A4 (0.55) SLC6A4HTR1AHTR2AADRA1D
SCHEMBL30877223 0.77 KDM4E (0.63) SLC6A4HTR1AHTR2AHTR1F
SCHEMBL3228171 0.77 SLC6A4 (0.47) SLC6A4HTR1AHTR2AFFAR1GPR84

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
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2017042643-A1 FLUOROINDOLE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2017-03-16 WO disclosed