SCHEMBL28063442

SCHEMBL28063442

O=CC1CCN(c2cccnc2)N1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 11/20 0.43
▸ CHRNA4 P43681 11/20 0.43
▸ CHRNB4 P30926 6/20 0.42
▸ CHRNA3 P32297 6/20 0.42
▸ CHRNA7 P36544 2/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL28067746 0.82 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL28103547 0.81 ADRB2 (0.41) —
SCHEMBL27671224 0.81 ALOX5 (0.41) —
SCHEMBL27743313 0.75 ALOX5 (0.48) —
SCHEMBL27873897 0.73 ALOX5 (0.47) —
SCHEMBL28067721 0.73 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL27873898 0.72 NOTUM (0.36) —
SCHEMBL28103270 0.72 ALDH1A1 (0.34) HRH3
SCHEMBL27380663 0.72 ALOX5 (0.44) —
SCHEMBL27726704 0.72 ALOX5 (0.44) —

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-105636440-A Processes for the preparation of pesticidal compounds DOW AGROSCIENCES LLC 2016-06-01 — — CN claimed
CN-105636440-A Processes for the preparation of pesticidal compounds DOW AGROSCIENCES LLC 2016-06-01 — — CN disclosed
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