SCHEMBL7444866

SCHEMBL7444866

CCCN(CCc1ccc(F)cc1)C1Cc2cc3[nH]cc(C(=O)C(=O)N(CC)CC)c3cc2C1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.41
MAPK14 Q16539 2/20 0.40
HTR1D P28221 5/20 0.38
HTR1B P28222 5/20 0.38
DRD2 P14416 1/20 0.37

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
SCHEMBL7444874 0.79 MAPK14 (0.41) MAPK14
SCHEMBL7443957 0.75 HTR1D (0.48) HTR1DHTR1BDRD2
SCHEMBL7445238 0.74 HTR1A (0.50) HTR1AHTR1DHTR1BDRD2
SCHEMBL24243785 0.72 HTR2A (0.50)
SCHEMBL7439655 0.72 HTR1A (0.48) HTR1AHTR1DHTR1BDRD2
SCHEMBL30053780 0.70 PRKAB2 (0.38)
SCHEMBL7445106 0.68 HTR1D (0.57) HTR1AHTR1DHTR1BDRD2
SCHEMBL21133895 0.68 MAPK14 (0.79) MAPK14
SCHEMBL7438442 0.68 HTR1A (0.46) HTR1AHTR1DHTR1BDRD2
SCHEMBL5360018 0.67 MAPK14 (0.84) MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639778-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY (US) 1997-06-17 US disclosed
EP-0690843-A1 INDOLETETRALINS HAVING DOPAMINERGIC ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 1996-01-10 EP disclosed
WO-1994021608-A1 INDOLETETRALINS HAVING DOPAMINERGIC ACTIVITY THE UPJOHN COMPANY (US) 1994-09-29 WO disclosed