SCHEMBL9656151

SCHEMBL9656151

OC(c1ccccc1)c1ccc2c(n1)CCCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.40
ADRA2B P18089 3/20 0.40
ADRA2C P18825 3/20 0.40
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
PPARG P37231 1/20 0.33
KMT2A Q03164 1/20 0.33
NCOA2 Q15596 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL10417102 0.85 CCNA2 (0.40) ADRA2AADRA2BADRA2CCDK5CDK5R1
SCHEMBL2085329 0.78 ADRA2A (0.47) ADRA2AADRA2BADRA2CCDK5CDK5R1
SCHEMBL9654439 0.74 MAPT (0.41) CDK5CDK5R1SMN1; SMN2LMNAALDH1A1
SCHEMBL25060963 0.73 ADRA2A (0.42) ADRA2AADRA2BADRA2CCDK5CDK5R1
SCHEMBL20877646 0.73 ADRA2A (0.42) ADRA2AADRA2BADRA2CCDK5CDK5R1
SCHEMBL20877621 0.73 ADRA2A (0.42) ADRA2AADRA2BADRA2CCDK5CDK5R1
SCHEMBL19817529 0.73 ADRA2A (0.42) ADRA2AADRA2BADRA2CCDK5CDK5R1
SCHEMBL31003113 0.71 ADRA2A (0.41) ADRA2AADRA2BADRA2CCDK5CDK5R1
SCHEMBL4170763 0.71 ADRA2A (0.43) ADRA2AADRA2BADRA2CCDK5CDK5R1
SCHEMBL30437840 0.69 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHPGDALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4975431-A Certain anti-inflammatory cyclohepta[b]pyridines and analogs thereof JOHN WYETH & BROTHER LIMITED (GB) 1990-12-04 US claimed
US-5112832-A Nonsteroid antiinflammatory agents JOHN WYETH & BROTHER LIMITED (GB) 1992-05-12 US disclosed
US-5026854-A Bromination, cyclization JOHN WYETH & BROTHER LIMITED (GB) 1991-06-25 US disclosed
US-4975431-A Certain anti-inflammatory cyclohepta[b]pyridines and analogs thereof JOHN WYETH & BROTHER LIMITED (GB) 1990-12-04 US disclosed