SCHEMBL6678178

SCHEMBL6678178

CCN=C(N)Nc1ccc(OCc2ccccc2)c(CN)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 18/20 0.60
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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 SCHEMBL6677019 0.99 C5AR1 (0.59) C5AR1LMNAMEN1POLBRAB9A
SCHEMBL6675276 0.85 ADRA2A (0.46) C5AR1MAPT
Hydrochloric Acid SCHEMBL6676250 0.84 ADRA2A (0.48) C5AR1
SCHEMBL6675023 0.82 C5AR1 (0.58) C5AR1LMNAMEN1POLBRAB9A
SCHEMBL6680859 0.81 PTGIR (0.51) C5AR1LMNAMEN1KMT2AALDH1A1
SCHEMBL6678424 0.81 C5AR1 (0.54) C5AR1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL6676156 0.80 PTGIR (0.50) C5AR1LMNAMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6680957 0.80 C5AR1 (0.53) C5AR1MEN1KMT2AMAPT
SCHEMBL6678175 0.79 C5AR1 (0.48) C5AR1LMNAMEN1KMT2AALDH1A1
SCHEMBL27479163 0.78 C5AR1 (0.47) C5AR1LMNAMEN1KMT2AALDH1A1

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
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP claimed