SCHEMBL6676752

SCHEMBL6676752

CCNC(=N)Nc1ccc(CCN)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.35
TSHR P16473 2/20 0.34
HPGD P15428 1/20 0.34
NPY2R P49146 1/20 0.33
KMT2A Q03164 3/20 0.33
RECQL P46063 2/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
LMNA P02545 2/20 0.32
GAPDH P04406 1/20 0.32
THRB P10828 1/20 0.32
APEX1 P27695 1/20 0.32
RAD52 P43351 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
Hydrochloric Acid SCHEMBL6676283 0.99 TAAR1 (0.34) TAAR1TSHRHPGDNPY2RKMT2A
SCHEMBL6679989 0.84 HTT (0.39) TAAR1TSHRKMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL6681248 0.83 HTT (0.39) TAAR1TSHRKMT2AMEN1SMN1; SMN2
SCHEMBL6675650 0.82 TAAR1 (0.44) TAAR1
Hydrochloric Acid SCHEMBL6680556 0.81 TAAR1 (0.43) TAAR1
SCHEMBL6675024 0.81 TSHR (0.36) TSHRHPGDNPY2RKMT2ARECQL
Hydrochloric Acid SCHEMBL6674387 0.80 TSHR (0.35) TSHRHPGDNPY2RKMT2ARECQL
SCHEMBL27479174 0.80 TAAR1 (0.35) TAAR1TSHRHPGDKMT2ARECQL
SCHEMBL6682225 0.80 TAAR1 (0.49) TAAR1
Hydrochloric Acid SCHEMBL27571668 0.79 TAAR1 (0.34) TAAR1TSHRHPGDKMT2ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP claimed