SCHEMBL7439287

SCHEMBL7439287

CCCNC1Cc2cc3cc[nH]c3cc2C1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 3/20 0.49
HTR1B P28222 2/20 0.49
DRD2 P14416 9/20 0.45
DRD3 P35462 7/20 0.45
DRD4 P21917 2/20 0.45
HTR1A P08908 5/20 0.39
SIGMAR1 Q99720 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
SCHEMBL7439062 0.73 FYN (0.54) HTR1DHTR1BDRD3HTR1A
SCHEMBL7450639 0.72 OPRM1 (0.37) HTR1DHTR1B
SCHEMBL8689156 0.71 DRD2 (0.58) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL1792787 0.70 GRIN2B (0.61) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL6561200 0.69 DRD2 (0.52) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL8692261 0.69 DRD2 (0.78) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL7434490 0.69 HTR1D (0.81) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL7435180 0.69 HTR1D (0.62) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL8688541 0.68 DRD2 (0.56) HTR1DHTR1BDRD2DRD3DRD4
SCHEMBL7441326 0.68 HTR1D (0.58) HTR1DHTR1BDRD2DRD3HTR1A

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