SCHEMBL28065684

SCHEMBL28065684

c1ccc(Cc2ccnc(N3CCNCC3)c2Cc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 5/20 0.53
▸ TAAR1 Q96RJ0 1/20 0.52
▸ HTR2C P28335 5/20 0.51
▸ HTR2A P28223 3/20 0.51
▸ HTR2B P41595 3/20 0.51
▸ ACHE P22303 1/20 0.45
▸ EPHX2 P34913 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
SCHEMBL1767672 0.74 TAAR1 (0.42) HTR6TAAR1HTR2CHTR2AHTR2B
SCHEMBL28839913 0.73 TAAR1 (0.53) HTR6TAAR1
SCHEMBL2947725 0.71 MEN1 (0.74) —
SCHEMBL6164646 0.71 HTR1A (0.60) HTR6TAAR1HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL9654609 0.70 HTR1A (0.59) HTR6TAAR1HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL16651431 0.70 TAAR1 (0.94) TAAR1ACHE
SCHEMBL712846 0.69 TAAR1 (1.00) TAAR1ACHE
SCHEMBL6665233 0.69 HTR6 (0.68) HTR6HTR2CACHE
SCHEMBL8705117 0.69 HTR6 (0.49) HTR6TAAR1HTR2CACHEEPHX2
SCHEMBL169211 0.68 HTR2C (0.55) HTR6HTR2CHTR2AEPHX2

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
CN-105683183-A Substituted pyridine-piperazinyl analogues as RSV antiviral compounds 爱尔兰詹森科学公司 2016-06-15 — — CN disclosed
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