SCHEMBL8409476

SCHEMBL8409476

Cc1ccc2[nH]cc(C(C)C(C)N)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.47
HTR1D P28221 2/20 0.47
TP53 P04637 4/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTR2C P28335 4/20 0.42
HTR2B P41595 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NR4A2 P43354 1/20 0.42
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR1A P08908 1/20 0.38
HTR1B P28222 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL12244348 0.82 TP53 (0.50) HTR2AHTR1DTP53MAPTLMNA
SCHEMBL31567584 0.82 TP53 (0.50) HTR2AHTR1DTP53MAPTLMNA
SCHEMBL21871531 0.82 LMNA (0.49) HTR2AHTR1DTP53MAPTLMNA
SCHEMBL20556003 0.82 LMNA (0.49) HTR2AHTR1DTP53MAPTLMNA
SCHEMBL1120490 0.79 HTR2A (0.67) HTR2AHTR1DTP53MAPTLMNA
SCHEMBL20970887 0.77 TP53 (0.46) HTR2AHTR1DTP53MAPTLMNA
SCHEMBL6713999 0.77 TP53 (0.46) HTR2AHTR1DTP53MAPTLMNA
SCHEMBL4406284 0.76 HTR2A (0.50) HTR2AHTR1DTP53MAPTHTR2C
SCHEMBL16675479 0.75 TP53 (0.45) HTR2AHTR1DTP53MAPTLMNA
SCHEMBL9211145 0.74 HTR2B (0.50) HTR2AHTR1DMAPTSMN1; SMN2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869691-A TETRAHYDRO-BETA-CARBOLINE RELATED COMPOUNDS WHICH ARE USEFUL INTERMEDIATES AND HAVE BENEFICIAL CENTRAL NERVOUS SYSTEM ACTIVITY. ELI LILLY AND COMPANY (US) 1999-02-09 US disclosed
US-5861410-A TREATING A FUNCTIONAL BOWEL DISORDER ELI LILLY AND COMPANY (US) 1999-01-19 US disclosed
US-5861408-A SEROTONIN RECEPTOR ANTAGONISTS, INHIBITORS OF SEROTONIN-INDUCED COLON CONCTRACTIONS, FOR TREATING GASTROINTESTINAL DISORDERS ELI LILLY AND COMPANY (US) 1999-01-19 US disclosed
US-5861409-A Tetrahydro-beta-carbolines ELI LILLY AND COMPANY (US) 1999-01-19 US disclosed
US-5736544-A ADMINISTERING TO TREAT MIGRAINE HEADACHES IN MAMMALS ELI LILLY AND COMPANY (US) 1998-04-07 US disclosed
US-5705519-A ADMINISTERING A SUBSTITUTED INDOLE TO A MAMMAL ELI LILLY AND COMPANY (US) 1998-01-06 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
CN-1148340-A Treatment of 5HTZBMethods of receptor-related disorders LILLY CO ELI (US) 1997-04-23 CN disclosed