SCHEMBL7820113

SCHEMBL7820113

COc1ccc(C[C@H]2NC3CCCC[C@@H]3c3c2[nH]c2ccc(C)cc32)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.56
SIRT1 Q96EB6 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE4B Q07343 1/20 0.36

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
SCHEMBL8408620 1.00 HTR2B (0.56) HTR2BSIRT1MAPTMEN1LMNA
SCHEMBL7820110 1.00 HTR2B (0.56) HTR2BSIRT1MAPTMEN1LMNA
Hydrochloric Acid SCHEMBL8932746 0.99 HTR2B (0.58) HTR2BSIRT1MAPTMEN1LMNA
SCHEMBL7808861 0.86 HTR2B (0.42) HTR2BPDE4B
SCHEMBL8409868 0.86 HTR2B (0.42) HTR2BPDE4B
SCHEMBL7818295 0.83 HTR2B (0.41) HTR2BSIRT1MAPTMEN1KMT2A
SCHEMBL8436886 0.81 HTR2B (0.58) HTR2BMAPTMEN1LMNAKMT2A
SCHEMBL8831853 0.81 HTR2B (0.58) HTR2BMAPTMEN1LMNAKMT2A
SCHEMBL8406878 0.79 TUBB4A (0.38) HTR2B
SCHEMBL7816468 0.79 TUBB4A (0.38) HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749313-A4 METHOD FOR TREATING 5HT 2B RECEPTOR RELATED CONDITIONS LILLY CO ELI (US) 2001-10-24 EP disclosed
US-5736544-A ADMINISTERING TO TREAT MIGRAINE HEADACHES IN MAMMALS ELI LILLY AND COMPANY (US) 1998-04-07 US disclosed
US-5688807-A ANTIDEPRESSANTS, ANXIETY, UROGENITAL DISORDERS, HYPOTENSIVES, CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 1997-11-18 US disclosed
US-5663178-A 5-HT2 RECEPTOR ANTABONISTS ELI LILLY AND COMPANY (US) 1997-09-02 US disclosed
US-5643916-A 5-HT(2B) RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 1997-07-01 US disclosed
US-5629317-A SEROTONIN ANTAGONIST ELI LILLY AND COMPANY (US) 1997-05-13 US disclosed
EP-0749313-A1 METHOD FOR TREATING 5HT 2B RECEPTOR RELATED CONDITIONS ELI LILLY AND COMPANY (US) 1996-12-27 EP disclosed
WO-1995024200-A1 METHOD FOR TREATING 5HT2B RECEPTOR RELATED CONDITIONS ELI LILLY AND COMPANY (US) 1995-09-14 WO disclosed