SCHEMBL9504379

SCHEMBL9504379

CCC(N1CCCC1)N1c2ccccc2Sc2ccc(C(=O)NCC(C)C)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
KMT2A Q03164 4/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 3/20 0.42
MEN1 O00255 3/20 0.42
CNR1 P21554 2/20 0.41
CNR2 P34972 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 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

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 SCHEMBL9784944 0.99 LMNA (0.44) LMNAKMT2AGAAHSD17B10TP53
SCHEMBL8973051 0.93 NAMPT (0.43) LMNAKMT2ATP53MEN1RXFP1
SCHEMBL9331559 0.91 LMNA (0.57) LMNAKMT2ATP53MEN1CNR1
SCHEMBL9504338 0.90 LMNA (0.56) LMNAKMT2ATP53MEN1CNR1
Hydrochloric Acid SCHEMBL9331386 0.90 LMNA (0.56) LMNAKMT2ATP53MEN1CNR1
SCHEMBL9331538 0.89 BCHE (0.46) LMNAKMT2ATP53MEN1CNR1
SCHEMBL9784924 0.89 LMNA (0.35) LMNAKMT2AGAATP53MEN1
Hydrochloric Acid SCHEMBL9332148 0.89 LMNA (0.45) LMNAKMT2ATP53MEN1CNR1
Hydrochloric Acid SCHEMBL9784980 0.88 LMNA (0.35) LMNAKMT2ATP53MEN1SMN1; SMN2
SCHEMBL9501784 0.88 BCHE (0.47) LMNAKMT2ATP53MEN1CNR1

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-0346238-B1 ANALGESIC PHENOTHIAZINE DERIVATIVES RHONE-POULENC SANTE (FR) 1993-06-09 EP claimed
US-5049669-A Also diuretics RHONE-POULENC SANTE (FR) 1991-09-17 US disclosed