SCHEMBL11453061

SCHEMBL11453061

NCCNC1CCCCC1O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.43
MGAM O43451 2/20 0.34
SI P14410 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
TSHR P16473 1/20 0.33
TRPV3 Q8NET8 7/20 0.32
LTA4H P09960 1/20 0.32
MAN1B1 Q9UKM7 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31

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
SCHEMBL11457407 0.96 HTR1A (0.40) HTR1AMGAMSISLC6A4SLC6A3
SCHEMBL11310315 0.88 HTR1A (0.48) HTR1AMGAMSISLC6A4SLC6A3
SCHEMBL14143034 0.80 KDM4E (0.47) HTR1AMGAMSISLC6A4SLC6A3
SCHEMBL14130591 0.78 HTR1A (0.46) HTR1AMGAMSISLC6A4SLC6A3
SCHEMBL15610965 0.76 KDM4E (0.47) HTR1AMGAMSISLC6A4SLC6A3
SCHEMBL15610963 0.76 KDM4E (0.47) HTR1AMGAMSISLC6A4SLC6A3
SCHEMBL16221545 0.76 ANPEP (0.44) CA1CA2
SCHEMBL15610964 0.76 KDM4E (0.47) HTR1AMGAMSISLC6A4SLC6A3
SCHEMBL11694548 0.76 ANPEP (0.44) CA1CA2
SCHEMBL9740250 0.75 HTR1A (0.51) HTR1ACA1CA2CA4

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
US-4223138-A VAPORIZATION, CONDENSATION, RETARDING FLOW TO REACTION ZONE BAYER AKTIENGESELLSCHAFT (DE) 1980-09-16 US disclosed