SCHEMBL7572914

SCHEMBL7572914

c1ccc(-c2ccccc2CN2CCc3ccncc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
KCNA5 P22460 4/20 0.44
KCNH2 Q12809 2/20 0.44
HTR7 P34969 5/20 0.42
TAAR1 Q96RJ0 1/20 0.41
DHPS P49366 2/20 0.40
TRPM5 Q9NZQ8 1/20 0.39
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ROCK2 O75116 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
CDK4 P11802 1/20 0.36
ALOX15 P16050 1/20 0.36
CCND1 P24385 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
TNF P01375 1/20 0.36

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
SCHEMBL7690504 0.83 ALDH1A1 (0.54) HTR7TAAR1TRPM5ALDH1A1HPGD
SCHEMBL10295512 0.70 HTR2A (0.40) CYP11B1CYP11B2TAAR1TRPM5ALDH1A1
SCHEMBL6027535 0.69 CHRM2 (0.47) ALDH1A1MEN1ALOX15KMT2AGAA
SCHEMBL28230641 0.66 HTR7 (0.80) CYP11B1CYP11B2HTR7
SCHEMBL18176030 0.66 HTR7 (0.46) CYP11B1CYP11B2HTR7ALOX15KMT2A
SCHEMBL9501323 0.65 ALDH1A1 (0.58) TAAR1TRPM5ALDH1A1MEN1USP2
SCHEMBL4074911 0.65 DHPS (0.59) DHPSHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL14927056 0.63 KCNA5 (0.50) CYP11B1CYP11B2KCNA5KCNH2TNF
SCHEMBL1111683 0.63 HTR7 (0.64) CYP11B1CYP11B2HTR7
SCHEMBL30108234 0.63 HTR7 (0.69) HTR7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002072547-A1 AMINATION PROCESS ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. (US) 2002-09-19 WO disclosed
WO-2002070439-A2 AMINATION PROCESS JOHNSTON, JEFFREY, N. 2002-09-12 WO disclosed