SCHEMBL9449656

SCHEMBL9449656

Cn1c(=O)sc2cc(CCN3CCN(c4cccnc4)CC3)ccc21

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.77
HTR2C P28335 5/20 0.77
SIGMAR1 Q99720 9/20 0.62

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
SCHEMBL9449797 0.83 HTR1A (0.72) HTR1AHTR2CSIGMAR1
SCHEMBL9449639 0.80 HTR1A (0.72) HTR1AHTR2CSIGMAR1
SCHEMBL8948066 0.80 HTR1A (0.77) HTR1AHTR2C
Hydrochloric Acid SCHEMBL9449919 0.80 HTR1A (0.98) HTR1AHTR2CSIGMAR1
Hydrochloric Acid SCHEMBL9437971 0.79 HTR1A (0.98) HTR1AHTR2CSIGMAR1
SCHEMBL8948018 0.78 HTR1A (0.53) HTR1AHTR2CSIGMAR1
SCHEMBL7759816 0.77 SIGMAR1 (1.00) HTR1AHTR2CSIGMAR1
SCHEMBL9449586 0.76 SIGMAR1 (0.69) HTR1AHTR2CSIGMAR1
Hydrochloric Acid SCHEMBL9449678 0.75 HTR1A (0.98) HTR1AHTR2CSIGMAR1
SCHEMBL9449853 0.74 HTR1A (0.86) HTR1AHTR2CSIGMAR1

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-5234924-A Hypotensive agents ADIR ET COMPAGNIE (FR) 1993-08-10 US disclosed