SCHEMBL11663149

SCHEMBL11663149

CN/C(=N/CCNCc1ccc(C)cn1)NC#N

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 6/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ HTR1A P08908 5/20 0.32
▸ QPCT Q16769 3/20 0.32
▸ CD274 Q9NZQ7 1/20 0.31
▸ NAMPT P43490 1/20 0.31
▸ ADRA2A P08913 2/20 0.31
▸ ADRA2B P18089 2/20 0.31
▸ ADRA2C P18825 2/20 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
SCHEMBL11366603 0.84 HRH4 (0.34) HRH4HRH2QPCT
SCHEMBL11369824 0.81 HRH4 (0.37) HRH4HRH2QPCTNAMPT
SCHEMBL11369819 0.81 HRH4 (0.37) HRH4HRH2QPCTNAMPT
SCHEMBL11368760 0.80 — —
SCHEMBL11360059 0.77 KDM4C (0.32) HRH2
SCHEMBL11369843 0.77 HRH4 (0.34) HRH4HRH2QPCTNAMPT
SCHEMBL11361858 0.77 QPCT (0.31) QPCT
SCHEMBL11360061 0.77 KDM4C (0.32) HRH2
SCHEMBL11359454 0.77 BCHE (0.32) HTR1AQPCT
SCHEMBL11367522 0.77 HRH4 (0.37) HRH4HRH2QPCT

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-4070475-A THIOALKYL-, AMINOALKYL-, AND OXYALKYL- SUBSTITUTED GUANIDINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-01-24 — — US disclosed
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