SCHEMBL28809817

SCHEMBL28809817

NCc1ccc(C2=C3C=CC(=N3)C=C3C=CC(=N3)C=C3C=CC(=N3)C=C3C=CC2=N3)cc1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.35
▸ ADRB2 P07550 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL7258064 0.84 — —
SCHEMBL8906766 0.81 — —
SCHEMBL5050049 0.81 — —
SCHEMBL28459014 0.80 — —
SCHEMBL585641 0.80 SENP1 (0.31) —
SCHEMBL28664742 0.78 HSD17B10 (0.36) TAAR1
SCHEMBL12076189 0.78 — —
SCHEMBL28930126 0.77 BCL2L1 (0.33) —
SCHEMBL3999483 0.76 TAAR1 (0.55) HRH3ADRB2TAAR1
SCHEMBL28587239 0.76 ENPP2 (0.32) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103694246-B Preparation method of A3B type asymmetric porphyrin compounds UNIV BEIJING TECHNOLOGY 2015-06-17 — — CN disclosed
CN-103694246-A Preparation method of A3B type asymmetric porphyrin compounds UNIV BEIJING TECHNOLOGY 2014-04-02 — — CN disclosed
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