SCHEMBL30777841

SCHEMBL30777841

O=C(OCCCN1CCCCC1)c1ccccc1Nc1c(Cl)cccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.61
▸ HTR4 Q13639 3/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ HTR3A P46098 1/20 0.49
▸ HRH3 Q9Y5N1 2/20 0.48
▸ BCHE P06276 3/20 0.47
▸ ACHE P22303 2/20 0.47
▸ METTL3 Q86U44 1/20 0.47
▸ DRD3 P35462 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL29163814 1.00 HPGD (0.61) HPGDHTR4KMT2ACYP2D6ALDH1A1
SCHEMBL20820733 0.83 TTR (0.59) HPGDKMT2ACYP3A4
SCHEMBL20820718 0.76 LMNA (0.64) CYP2D6HRH3
Hydrochloric Acid SCHEMBL8908889 0.76 HPGD (1.00) HPGDHTR4KMT2ACYP2D6ALDH1A1
SCHEMBL11336091 0.76 TDP1 (0.65) HPGDHTR4KMT2ACYP2D6ALDH1A1
Acetic Acid SCHEMBL3810515 0.75 PTGS2 (0.52) HPGDKMT2AMEN1CYP3A4SMN1; SMN2
SCHEMBL3805486 0.74 PTGS1 (0.47) KMT2ACYP2D6ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL11318629 0.74 NPC1 (0.57) HPGDKMT2ACYP2D6ALDH1A1MEN1
SCHEMBL29163813 0.73 METTL3 (0.46) HPGDALDH1A1METTL3
SCHEMBL8355590 0.72 CYP2D6 (0.76) HTR4KMT2ACYP2D6ALDH1A1MEN1

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-111808011-B High penetration composition and its application 泰飞尔生物医药(苏州)有限公司 2024-02-27 — — CN disclosed
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