SCHEMBL6200050

SCHEMBL6200050

O=S(=O)(c1ccc(F)cc1)c1ccc2c(c1)[C@@H]1CCNCC[C@H]1N2

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 16/20 0.51
▸ HTR2C P28335 2/20 0.48
▸ HTR2B P41595 2/20 0.48
▸ DRD3 P35462 1/20 0.36
▸ WNT3 P56703 1/20 0.35
▸ SFRP1 Q8N474 1/20 0.35

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
SCHEMBL6199846 1.00 HTR6 (0.51) HTR6HTR2CHTR2BDRD3WNT3
SCHEMBL6224480 1.00 HTR6 (0.51) HTR6HTR2CHTR2BDRD3WNT3
SCHEMBL6199954 1.00 HTR6 (0.51) HTR6HTR2CHTR2BDRD3WNT3
SCHEMBL6222553 1.00 HTR6 (0.51) HTR6HTR2CHTR2BDRD3WNT3
SCHEMBL6200053 1.00 HTR6 (0.51) HTR6HTR2CHTR2BDRD3WNT3
SCHEMBL6201849 1.00 HTR6 (0.51) HTR6HTR2CHTR2BDRD3WNT3
SCHEMBL6220227 0.91 HTR6 (0.52) HTR6HTR2CHTR2BDRD3
SCHEMBL6199652 0.91 HTR6 (0.52) HTR6HTR2CHTR2BDRD3
SCHEMBL6218892 0.91 HTR6 (0.52) HTR6HTR2CHTR2BDRD3
SCHEMBL6200641 0.91 HTR6 (0.52) HTR6HTR2CHTR2BDRD3

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
Send feedback