SCHEMBL7997579

SCHEMBL7997579

COc1ccc2c(c1)N(CCC(N)OC(=O)/C=C/C(=O)OC(N)CCN1CCc3ccc(OC)cc31)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
PMP22 Q01453 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GFER P55789 1/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
BIRC2 Q13490 1/20 0.41
NOTUM Q6P988 1/20 0.39
HTR2A P28223 4/20 0.39
HTR2C P28335 4/20 0.39
HTR2B P41595 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
HIF1A Q16665 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
RORC P51449 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL906050 0.75 HTR2C (0.66) LMNAPMP22NPSR1GFERHDAC1
SCHEMBL8067706 0.74 DRD1 (0.50) HDAC1HDAC6NOTUMHTR2AHTR2C
SCHEMBL23489361 0.74 MAPT (0.50) HDAC1HDAC6BIRC2NOTUMCYP3A4
Hydrochloric Acid SCHEMBL7674594 0.74 HTR2C (0.64) LMNAPMP22NPSR1GFERHDAC1
SCHEMBL7679546 0.74 LMNA (0.64) LMNAPMP22NPSR1GFERHDAC1
SCHEMBL7673512 0.74 HTR2A (0.61) LMNAPMP22NPSR1GFERHDAC1
SCHEMBL1770605 0.72 MTNR1A (0.55) HDAC1HDAC6NOTUMHTR2CMTNR1A
SCHEMBL7041539 0.72 HSD17B10 (0.50) LMNAHDAC1HDAC6NOTUMMTNR1A
Ammonia Solution, Strong SCHEMBL906052 0.72 DRD1 (0.50) HDAC1HDAC6NOTUMRORCDRD2
Hydrochloric Acid SCHEMBL7840936 0.71 DRD1 (0.47) HDAC1HDAC6DRD2DRD1DRD5

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
WO-2001040183-A1 1-AMINOALKYL-1H-INDOLES FOR TREATING GLAUCOMA ALCON UNIVERSAL LTD. (CH) 2001-06-07 WO disclosed