SCHEMBL6200066

SCHEMBL6200066

CN1CC[C@@H]2c3cc(S(=O)(=O)c4ccccc4)ccc3N[C@@H]2CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 16/20 0.51
▸ CHRM2 P08172 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ HTR2C P28335 2/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HTR2B P41595 1/20 0.39

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
SCHEMBL6200539 1.00 HTR6 (0.51) HTR6CHRM2CHRM1HTR2CHTR2A
SCHEMBL6200709 1.00 HTR6 (0.51) HTR6CHRM2CHRM1HTR2CHTR2A
SCHEMBL6220778 1.00 HTR6 (0.51) HTR6CHRM2CHRM1HTR2CHTR2A
SCHEMBL6220570 1.00 HTR6 (0.51) HTR6CHRM2CHRM1HTR2CHTR2A
SCHEMBL6201915 1.00 HTR6 (0.51) HTR6CHRM2CHRM1HTR2CHTR2A
SCHEMBL6201184 1.00 HTR6 (0.51) HTR6CHRM2CHRM1HTR2CHTR2A
SCHEMBL6217043 0.91 HTR2A (0.42) HTR6HTR2CHTR2ALMNA
SCHEMBL6220462 0.91 HTR2A (0.42) HTR6HTR2CHTR2ALMNA
SCHEMBL6197664 0.91 HTR2A (0.42) HTR6HTR2CHTR2ALMNA
SCHEMBL6198240 0.91 HTR2A (0.42) HTR6HTR2CHTR2ALMNA

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
EP-1351961-B1 SUBSTITUTED INDOLINES AS 5-HT RECEPTOR LIGANDS PHARMACIA & UPJOHN CO LLC (US) 2005-07-27 — — EP claimed
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