SCHEMBL10455191

SCHEMBL10455191

c1ccc(C2CCN3CCCCC3=N2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.49
NOS2 P35228 2/20 0.49
ACHE P22303 5/20 0.40
ALPL P05186 2/20 0.39
ALPI P09923 1/20 0.39
ADRA2B P18089 1/20 0.39
DRD1 P21728 1/20 0.39
KCNH2 Q12809 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PMP22 Q01453 1/20 0.38
BLM P54132 1/20 0.38
USP2 O75604 1/20 0.37
INMT O95050 1/20 0.37

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
SCHEMBL809711 0.95 NOS1 (0.46) NOS1NOS2ACHEALPLALPI
SCHEMBL10377977 0.85 ALPL (0.50) NOS1NOS2ACHEALPLALPI
SCHEMBL10376372 0.80 ALPL (0.51) NOS1NOS2ACHEALPLALPI
SCHEMBL8864841 0.70 ACHE (0.52) ACHEADRA2BKCNH2CYP2D6TSHR
SCHEMBL14777372 0.68 INMT (0.48) NOS1NOS2ACHEUSP2INMT
SCHEMBL20829048 0.68 ALDH1A1 (0.38) ACHECYP1A2TSHRALOX12ALDH1A1
SCHEMBL14614913 0.68 KEAP1 (0.40) NOS1NOS2ACHECYP1A2TSHR
SCHEMBL21400809 0.66 METAP2 (0.35) ACHETSHRMAPK1ALDH1A1LMNA
SCHEMBL7876143 0.66 ALPL (0.47) ALPLALPIADRA2BDRD1KCNH2
SCHEMBL10376431 0.66 SCN1A (0.40) NOS1NOS2ACHETSHRMAPK1

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
EP-0247692-B1 ELASTOMERIC FLUID COMPOSITIONS, CROSSLINKING IN THE PRESENCE OF AMBIENT HUMIDITY, SUITABLE FOR USE IN SEALANTS ENICHEM SYNTHESIS S.p.A. (IT) 1990-07-18 EP claimed
US-4757116-A Elastomeric aliphatic polycarbonate, bisketimine, bisketiminoenamine, or bisketiminosilazane organic compound, cyclic amidine compound ENICHEM SINTESI S.P.A. (IT) 1988-07-12 US claimed
EP-0247692-B1 ELASTOMERIC FLUID COMPOSITIONS, CROSSLINKING IN THE PRESENCE OF AMBIENT HUMIDITY, SUITABLE FOR USE IN SEALANTS ENICHEM SYNTHESIS S.p.A. (IT) 1990-07-18 EP disclosed
EP-0247692-A2 Elastomeric fluid compositions, crosslinking in the presence of ambient humidity, suitable for use in sealants ENICHEM SYNTHESIS S.p.A. (IT) 1987-12-02 EP disclosed