SCHEMBL6330813

SCHEMBL6330813

CC1CC(c2ccc(C(F)(F)F)c3ccoc23)CCN1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.53
PLG P00747 1/20 0.34
P2RY14 Q15391 1/20 0.33
NOTUM Q6P988 1/20 0.32
HTR2B P41595 2/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL6330812 1.00 HTR2C (0.53) HTR2CPLGP2RY14NOTUMHTR2B
SCHEMBL6331276 1.00 HTR2C (0.53) HTR2CPLGP2RY14NOTUMHTR2B
SCHEMBL6331278 1.00 HTR2C (0.53) HTR2CPLGP2RY14NOTUMHTR2B
SCHEMBL6330817 1.00 HTR2C (0.53) HTR2CPLGP2RY14NOTUMHTR2B
Hydrochloric Acid SCHEMBL6333598 0.99 HTR2C (0.52) HTR2CPLGP2RY14NOTUMHTR2B
Hydrochloric Acid SCHEMBL6333603 0.99 HTR2C (0.52) HTR2CPLGP2RY14NOTUMHTR2B
Hydrochloric Acid SCHEMBL6333599 0.99 HTR2C (0.52) HTR2CPLGP2RY14NOTUMHTR2B
SCHEMBL3218850 0.73 HTR2C (0.42) HTR2CPLGP2RY14NOTUMCHRNB2
Hydrochloric Acid SCHEMBL6332881 0.73 HTR2C (0.46) HTR2CP2RY14NOTUMHTR2B
Hydrochloric Acid SCHEMBL6332887 0.73 HTR2C (0.46) HTR2CP2RY14NOTUMHTR2B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881733-B1 Serotonergic benzofurans ELI LILLY AND COMPANY (US) 2005-04-19 US disclosed
EP-1204659-B1 SEROTONERGIC BENZOFURANS LILLY CO ELI (US) 2003-11-26 EP disclosed
EP-1204659-A2 SEROTONERGIC BENZOFURANS ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2001009122-A2 SEROTONERGIC BENZOFURANS ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed