SCHEMBL3457147

SCHEMBL3457147

COc1ccc2cccc(N3CCN(CCn4cnc5sc6c(c5c4=O)CCN(C)C6)CC3)c2c1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.80
ADRA1D P25100 20/20 0.80
HTR1B P28222 20/20 0.80
ADRA1A P35348 20/20 0.80
ADRA1B P35368 20/20 0.80
DRD2 P14416 2/20 0.67
HTR2A P28223 2/20 0.67
HTR7 P34969 2/20 0.67
DRD3 P35462 2/20 0.67
HTR2C P28335 1/20 0.67

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
Hydrochloric Acid SCHEMBL7718561 0.99 HTR1A (0.79) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6990832 0.89 HTR1A (1.00) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7719441 0.88 HTR1A (0.98) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7722195 0.88 HTR1A (0.77) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL13934452 0.87 HTR1A (0.78) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6996368 0.87 HTR1A (1.00) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6995160 0.87 HTR1A (0.88) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7718490 0.86 HTR1A (0.86) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7719641 0.86 HTR1A (0.98) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7718485 0.86 HTR1A (0.86) HTR1AADRA1DHTR1BADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266570-A1 Use of binding partners for 5-HT5 receptors for treating neurodegenerative and neuropsychiatric disorders Abbott GmbH & Co. KG (DE) 2010-12-29 EP disclosed
EP-0927184-B1 3-SUBSTITUTED PYRIDO 4',3':4,5]THIENO 2,3-D]PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE ABBOTT GMBH & CO KG (DE) 2003-10-22 EP disclosed
EP-1143975-A1 USE OF 5-HT5-LIGANDS IN THE TREATMENT OF NEURODEGENERATIVE AND NEUROPSYCHIATRIC DISTURBANCES Basf Aktiengesellschaft (DE) 2001-10-17 EP disclosed
EP-1144050-A2 BINDING PARTNERS FOR 5-HT5-RECEPTORS FOR THE TREATMENT OF MIGRAINE KNOLL AKTIENGESELLSCHAFT (DE) 2001-10-17 EP disclosed
WO-2000041472-A2 BINDING PARTNERS FOR 5-HT5-RECEPTORS FOR THE TREATMENT OF MIGRAINE KNOLL AKTIENGESELLSCHAFT (DE) 2000-07-20 WO disclosed
WO-2000041696-A1 USE OF 5-HT5-LIGANDS IN THE TREATMENT OF NEURODEGENERATIVE AND NEUROPSYCHIATRIC DISTURBANCES BASF AKTIENGESELLSCHAFT (DE) 2000-07-20 WO disclosed