SCHEMBL6981408

SCHEMBL6981408

Nc1ncccc1C(=O)NCC1CCN(CC2COc3cccc(F)c3O2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.51
ADRA1A P35348 3/20 0.51
ADRA1B P35368 3/20 0.51
HTR4 Q13639 2/20 0.45
ADRA2C P18825 6/20 0.45
ADRA2A P08913 5/20 0.45
ADRA2B P18089 5/20 0.45
LTA4H P09960 1/20 0.43
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL8382357 1.00 ADRA1D (0.51) ADRA1DADRA1AADRA1BHTR4ADRA2C
SCHEMBL6979474 0.92 ADRA1D (0.45) ADRA1DADRA1AADRA1BHTR4ADRA2C
SCHEMBL8382941 0.92 ADRA1D (0.45) ADRA1DADRA1AADRA1BHTR4ADRA2C
SCHEMBL8381441 0.92 ADRA1D (0.49) ADRA1DADRA1AADRA1BHTR4ADRA2C
SCHEMBL6984994 0.92 ADRA1D (0.49) ADRA1DADRA1AADRA1BHTR4ADRA2C
SCHEMBL6976572 0.91 ADRA1D (0.48) ADRA1DADRA1AADRA1BHTR4ADRA2C
SCHEMBL6982754 0.91 ADRA1D (0.48) ADRA1DADRA1AADRA1BHTR4ADRA2C
SCHEMBL8383249 0.90 ADRA1D (0.46) ADRA1DADRA1AADRA1BHTR4ADRA2C
SCHEMBL6984796 0.90 ADRA1D (0.46) ADRA1DADRA1AADRA1BHTR4ADRA2C
SCHEMBL8385881 0.89 ADRA1D (0.62) ADRA1DADRA1AADRA1BADRA2CADRA2A

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
EP-0839145-B1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS ABBOTT GMBH & CO KG (DE) 2003-11-05 EP claimed
CN-1071755-C Heterocyclylcarboxamide derivatives and their use as therapeutic agents KNOLL AG (DE) 2001-09-26 CN claimed
US-5935973-A AFFINITY FOR 5-HT1A, ALPHA1, ALPHA2 AND/OR D2 RECEPTORS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS, PSYCHOSES, DYSKINESIAS, PARKINSON'S DISEASE, HYPOTENSIVE AGENTS, TOURETTE'S SYNDROME, OBSESSIVE-COMPULSIVE BEHAVIOUR, PANIC ATTACKS, SOCIAL PHOBIAS KNOLL AKTIENGESELLSCHAFT (DE) 1999-08-10 US claimed
CN-1190967-A Heterocyclylcarboxamide derivatives and their use as therapeutic agents KNOLL AG (DE) 1998-08-19 CN claimed
EP-0839145-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Knoll AG (DE) 1998-05-06 EP claimed
WO-1997003071-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1997-01-30 WO claimed
CN-1071755-C Heterocyclylcarboxamide derivatives and their use as therapeutic agents KNOLL AG (DE) 2001-09-26 CN disclosed
US-5935973-A AFFINITY FOR 5-HT1A, ALPHA1, ALPHA2 AND/OR D2 RECEPTORS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS, PSYCHOSES, DYSKINESIAS, PARKINSON'S DISEASE, HYPOTENSIVE AGENTS, TOURETTE'S SYNDROME, OBSESSIVE-COMPULSIVE BEHAVIOUR, PANIC ATTACKS, SOCIAL PHOBIAS KNOLL AKTIENGESELLSCHAFT (DE) 1999-08-10 US disclosed
CN-1190967-A Heterocyclylcarboxamide derivatives and their use as therapeutic agents KNOLL AG (DE) 1998-08-19 CN disclosed
EP-0839145-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Knoll AG (DE) 1998-05-06 EP disclosed
WO-1997003071-A1 HETEROCYCLYLCARBOXAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AKTIENGESELLSCHAFT (DE) 1997-01-30 WO disclosed