SCHEMBL14339693

SCHEMBL14339693

CN(CCN(C)c1nnc(N)[nH]1)Cc1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.45
AOC3 Q16853 1/20 0.42
TAAR1 Q96RJ0 1/20 0.40
ACHE P22303 4/20 0.40
MCHR1 Q99705 1/20 0.40
PRMT1 Q99873 2/20 0.38
CARM1 Q86X55 1/20 0.38
FFAR2 O15552 1/20 0.38
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
RIPK1 Q13546 1/20 0.36
PNMT P11086 2/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL24433601 0.74 HTR7 (0.41) AOC3TAAR1
SCHEMBL21902241 0.72 CARM1 (0.62) PYCR1AOC3TAAR1ACHEPRMT1
SCHEMBL14868787 0.72 AOC3 (0.47) AOC3TAAR1SIGMAR1
SCHEMBL14869007 0.71 PIM1 (0.48) AOC3CARM1TSHR
SCHEMBL3156765 0.71 PYCR1 (0.58) PYCR1AOC3TAAR1ACHEMCHR1
SCHEMBL15308498 0.71 PYCR1 (0.61) PYCR1AOC3TAAR1ACHEPRMT1
SCHEMBL14868818 0.70 AOC3 (0.50) AOC3TAAR1SIGMAR1
SCHEMBL30093221 0.69 PYCR1 (0.67) PYCR1AOC3TAAR1ACHETSHR
SCHEMBL14149935 0.68 PYCR1 (0.58) PYCR1AOC3TAAR1ACHETSHR
SCHEMBL14869312 0.68 TSHR (0.40) TAAR1TSHR

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-0911330-B1 1-(4-Arylpiperazine-1-y1)-3-(2-oxopyrrolidin/piperidin-1-y1) propanes as therapeutic agents for hypertension, ischemia, cardiovascular and other adrenergic receptors related disorders COUNCIL SCIENT IND RES (IN) 2007-12-12 EP disclosed