SCHEMBL9053453

SCHEMBL9053453

CCCCCN(CCCCC)C1CCC(=O)CC1c1ccc(Cl)nc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 7/20 0.38
▸ CHRNA4 P43681 6/20 0.38
▸ CHRNA7 P36544 5/20 0.36
▸ CHRNA3 P32297 3/20 0.36
▸ CHRNB4 P30926 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CHRNA1 P02708 1/20 0.36
▸ CHRNG P07510 1/20 0.36
▸ CHRNB1 P11230 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CHRND Q07001 1/20 0.36
▸ CHRNA2 Q15822 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9053877 0.80 CHRNB2 (0.39) CHRNB2CHRNA4CHRNA7CHRNA3CHRNB4
SCHEMBL8977326 0.72 MAPT (0.38) CHRNB2CHRNA4CHRNA7CHRNA3CHRNB4
SCHEMBL9047337 0.72 CHRNB2 (0.46) CHRNB2CHRNA4CHRNA7CHRNA3CHRNB4
SCHEMBL9050188 0.72 CHRNB2 (0.46) CHRNB2CHRNA4CHRNA7CHRNA3CHRNB4
SCHEMBL8514392 0.68 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA7CHRNA3CHRNB4
SCHEMBL2408324 0.68 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA7CHRNA3CHRNB4
SCHEMBL8795939 0.68 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA7CHRNA3CHRNB4
SCHEMBL8795450 0.68 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA7CHRNA3CHRNB4
SCHEMBL9158238 0.62 SPHK1 (0.59) ALDH1A1MEN1KMT2AHPGD
SCHEMBL9158242 0.62 SPHK1 (0.59) ALDH1A1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736534-A1 Process for preparing epibatidine EGIS GYOGYSZERGYAR RT. (HU) 1996-10-09 — — EP claimed
EP-0657456-A1 Process for preparing epibatidine EGIS GYOGYSZERGYAR RT. (HU) 1995-06-14 — — EP claimed
EP-0736534-A1 Process for preparing epibatidine EGIS GYOGYSZERGYAR RT. (HU) 1996-10-09 — — EP disclosed
EP-0657456-A1 Process for preparing epibatidine EGIS GYOGYSZERGYAR RT. (HU) 1995-06-14 — — EP disclosed
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