SCHEMBL11337142

SCHEMBL11337142

CCCCCCCCCC(=O)OCCN1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.57
HRH2 P25021 2/20 0.55
HRH1 P35367 2/20 0.55
DNM1 Q05193 1/20 0.49
GNAI3 P08754 5/20 0.48
GNAO1 P09471 5/20 0.48
GNAI1 P63096 5/20 0.48
PAM P19021 2/20 0.45
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.42
NAAA Q02083 1/20 0.41

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
SCHEMBL20057624 1.00 DGKA (0.57) DGKAHRH2HRH1DNM1GNAI3
SCHEMBL11337135 1.00 DGKA (0.57) DGKAHRH2HRH1DNM1GNAI3
SCHEMBL11712690 0.93 HRH2 (0.60) DGKAHRH2HRH1DNM1GNAI3
SCHEMBL11779963 0.93 HRH2 (0.60) DGKAHRH2HRH1DNM1GNAI3
SCHEMBL17401261 0.89 DGKA (0.67) DGKAHRH2HRH1DNM1PAM
SCHEMBL11628693 0.89 DGKA (0.67) DGKAHRH2HRH1DNM1PAM
SCHEMBL17401259 0.89 DGKA (0.67) DGKAHRH2HRH1DNM1PAM
SCHEMBL23864897 0.85 DGKA (0.61) DGKAHRH2HRH1DNM1PAM
SCHEMBL12120107 0.85 DGKA (0.61) DGKAHRH2HRH1DNM1PAM
SCHEMBL12120105 0.85 DGKA (0.61) DGKAHRH2HRH1DNM1PAM

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-4243805-A 3 Fluoro-10-piperazino-8-substituted 10,11-dihydrodibenzo-(bf) thiepins and method for the preparation thereof SPOFA, SPOJENE PODNIKY PRO ZDRAVOTNICKOU VYROBU (CS) 1981-01-06 US disclosed