SCHEMBL18409078

SCHEMBL18409078

CN[S+]([O-])CCc1ccc2[nH]cc(C3CCNCC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.49
HTR1D P28221 4/20 0.48
HTR1B P28222 4/20 0.48
HTR1A P08908 1/20 0.48
NMT2 O60551 1/20 0.47
NMT1 P30419 1/20 0.47
HTR2C P28335 2/20 0.46
ADRB2 P07550 1/20 0.46
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40

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
SCHEMBL12936456 0.87 HTR1D (0.65) APPHTR1DHTR1BHTR1AHTR6
SCHEMBL9526594 0.78 HTR1D (0.77) APPHTR1DHTR1BHTR1ANMT2
Hydrochloric Acid SCHEMBL9526972 0.77 HTR1D (0.76) APPHTR1DHTR1BHTR1ANMT2
SCHEMBL9526685 0.76 HTR1D (0.62) APPHTR1DHTR1BHTR1ANMT2
SCHEMBL9375123 0.74 HTR6 (0.52) HTR1DHTR1BHTR1AHTR2CHTR6
SCHEMBL8916861 0.72 NMT2 (0.48) APPHTR1DHTR1BHTR1ANMT2
SCHEMBL27290426 0.72 NMT2 (0.55) APPHTR1DHTR1BHTR1ANMT2
SCHEMBL3832948 0.71 HTR2C (0.62) APPHTR1DHTR1BNMT2NMT1
SCHEMBL7459828 0.71 HTR2C (0.62) APPHTR1DHTR1BNMT2NMT1
SCHEMBL9764521 0.71 HTR1D (0.66) APPHTR1DHTR1BHTR1ANMT2

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-2017013031-A1 5-HYDROXYTRYPTAMINE 1B RECEPTOR-STIMULATING AGENT FOR USE AS A PROMOTER OF SATELLITE CELLS SELF-RENEWAL AND/OR DIFFERENTIATION INSTITUT PASTEUR (FR) 2017-01-26 WO disclosed