SCHEMBL27360640

SCHEMBL27360640

O=CC1NN=CN1c1ccc(Cl)nc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 7/20 0.41
▸ CHRNA3 P32297 7/20 0.41
▸ CHRNB2 P17787 9/20 0.39
▸ CHRNA4 P43681 9/20 0.39
▸ POLB P06746 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
SCHEMBL27389183 0.81 NOTUM (0.33) POLB
SCHEMBL27640315 0.73 TDP1 (0.40) —
SCHEMBL27640310 0.70 HCAR1 (0.36) —
SCHEMBL27259672 0.66 HTR3E (0.46) —
Hydrochloric Acid SCHEMBL9222016 0.63 CHRNB2 (0.51) CHRNB4CHRNA3CHRNB2CHRNA4POLB
SCHEMBL27544106 0.58 — —
SCHEMBL28253765 0.58 — —
SCHEMBL29998481 0.58 CHRNB4 (0.61) CHRNB4CHRNA3CHRNB2CHRNA4POLB
SCHEMBL10339123 0.58 POLB (0.46) CHRNB4CHRNA3CHRNB2CHRNA4POLB
SCHEMBL25327467 0.58 ALDH1A1 (0.39) POLB

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-1067999-C Anti-helicobacter heterocyclic derivatives of azolines JANSSEN PHARMACEUTICA NV (BE) 2001-07-04 — — CN disclosed
CN-1152310-A Anti-helicobacter heterocyclic derivatives of azolines JANSSEN PHARMACEUTICA NV (BE) 1997-06-18 — — CN disclosed
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