SCHEMBL8973044

SCHEMBL8973044

CCC(C)CNC(=O)c1ccc2c(c1)N(C(C)CN1CCCC1)c1ccccc1S2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.43
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40

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 SCHEMBL9784840 0.99 NAMPT (0.42) NAMPTLMNAMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL9784907 0.99 NAMPT (0.42) NAMPTLMNAMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL9784843 0.99 NAMPT (0.42) NAMPTLMNAMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL9784897 0.99 NAMPT (0.42) NAMPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL9784862 0.93 LMNA (0.42) LMNAMEN1KMT2ASMN1; SMN2BCHE
SCHEMBL9784867 0.93 LMNA (0.42) LMNAMEN1KMT2ASMN1; SMN2BCHE
Hydrochloric Acid SCHEMBL9784905 0.92 LMNA (0.42) LMNAMEN1KMT2ASMN1; SMN2BCHE
Hydrochloric Acid SCHEMBL9784908 0.92 LMNA (0.42) LMNAMEN1KMT2ASMN1; SMN2BCHE
SCHEMBL9504359 0.92 LMNA (0.46) LMNAMEN1KMT2ASMN1; SMN2BCHE
Hydrochloric Acid SCHEMBL9784927 0.91 LMNA (0.45) LMNAMEN1KMT2ASMN1; SMN2BCHE

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
EP-0633780-B1 USE OF PHENOTHIAZINE DERIVATIVES FOR TREATING ISCHAEMIA AND/OR HYPOXIA RHONE POULENC RORER SA (FR) 1996-06-05 EP claimed
US-5502049-A AMINOALKYL AND AMIDE DERIVATIVES RHONE-POULENC RORER S.A. (FR) 1996-03-26 US claimed