SCHEMBL9828576

SCHEMBL9828576

N=C(N)N(CCCc1c[nH]cn1)CCN(Cc1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.39
HRH3 Q9Y5N1 3/20 0.39
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
TSHR P16473 3/20 0.38
CYP2D6 P10635 2/20 0.38
LMNA P02545 2/20 0.37
GLA P06280 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TAAR1 Q96RJ0 2/20 0.35
MC4R P32245 2/20 0.33
MC3R P41968 2/20 0.33
CYP1A2 P05177 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
Hydrochloric Acid SCHEMBL9827176 0.99 GRIN2D (0.40) HRH4HRH3GRIN2DGRIN3BGRIN1
SCHEMBL9828851 0.93 GBA1 (0.38) HRH4HRH3GRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL9827508 0.92 GRIN2D (0.36) HRH4HRH3GRIN2DGRIN3BGRIN1
SCHEMBL9828412 0.89 CHRM2 (0.46) HRH4HRH3GRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL9827919 0.88 LMNA (0.47) HRH4HRH3GRIN2DGRIN3BGRIN1
SCHEMBL7288371 0.86 ADRA2A (0.35) TSHRCYP2D6SMN1; SMN2TAAR1MC4R
SCHEMBL9828326 0.85 HRH4 (0.33) HRH4HRH3GRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL9827568 0.84 GRIN2D (0.33) HRH4HRH3GRIN2DGRIN3BGRIN1
SCHEMBL7428749 0.82 GBA1 (0.36) HRH4HRH3GRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL9827936 0.82 GBA1 (0.35) HRH4HRH3GRIN2DGRIN3BGRIN1

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-0302896-B1 N-(W-SUBSTITUTED ALKYL)-N'-[(IMIDAZOLE-4-YL)ALKYL]GUANIDINE CEDONA PHARMACEUTICALS B.V. (NL) 1991-08-14 EP claimed