SCHEMBL8973051

SCHEMBL8973051

CCC(C)CNC(=O)c1ccc2c(c1)N(C(CC)N1CCCC1)c1ccccc1S2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.43
LMNA P02545 2/20 0.42
RXFP1 Q9HBX9 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TP53 P04637 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
DRD2 P14416 2/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM1 P11229 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL9504379 0.93 LMNA (0.45) LMNARXFP1SMN1; SMN2TP53MEN1
Hydrochloric Acid SCHEMBL9784944 0.93 LMNA (0.44) LMNARXFP1SMN1; SMN2TP53MEN1
SCHEMBL9331538 0.89 BCHE (0.46) LMNASMN1; SMN2TP53MEN1KMT2A
SCHEMBL9331559 0.88 LMNA (0.57) NAMPTLMNASMN1; SMN2TP53MEN1
Hydrochloric Acid SCHEMBL9784877 0.88 HTR1A (0.34) NAMPTLMNASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL9332148 0.88 LMNA (0.45) LMNASMN1; SMN2TP53MEN1KMT2A
Hydrochloric Acid SCHEMBL9331386 0.87 LMNA (0.56) NAMPTLMNASMN1; SMN2TP53MEN1
SCHEMBL9504338 0.87 LMNA (0.56) NAMPTLMNASMN1; SMN2TP53MEN1
SCHEMBL9501784 0.87 BCHE (0.47) LMNASMN1; SMN2TP53MEN1KMT2A
SCHEMBL9331525 0.87 LMNA (0.40) NAMPTLMNARXFP1SMN1; SMN2TP53

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