SCHEMBL31437345

SCHEMBL31437345

CCN(CC)CCNC(=O)c1cc(Cl)c(NC(C)=O)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 3/20 0.70
▸ CYP2D6 P10635 3/20 0.70
▸ DRD3 P35462 3/20 0.70
▸ LMNA P02545 3/20 0.70
▸ CYP1A2 P05177 2/20 0.70
▸ DRD2 P14416 2/20 0.70
▸ HTR2B P41595 2/20 0.70
▸ KCNH2 Q12809 2/20 0.70
▸ HTR3E A5X5Y0 1/20 0.70
▸ SLC22A1 O15245 1/20 0.70
▸ HTR3B O95264 1/20 0.70
▸ ALDH1A1 P00352 1/20 0.70
▸ MPO P05164 1/20 0.70
▸ ADRA2C P18825 1/20 0.70
▸ DRD4 P21917 1/20 0.70
▸ HTR2A P28223 1/20 0.70
▸ HTR2C P28335 1/20 0.70
▸ HTR3A P46098 1/20 0.70
▸ HTR4 Q13639 1/20 0.70
▸ HTR3D Q70Z44 1/20 0.70

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
SCHEMBL5925593 1.00 ADRA2A (0.70) ADRA2ACYP2D6DRD3LMNACYP1A2
Hydrochloric Acid SCHEMBL5925589 0.99 RAB9A (0.71) ADRA2ACYP2D6DRD3LMNACYP1A2
SCHEMBL20348311 0.91 ADRA2A (0.70) ADRA2ACYP2D6DRD3LMNACYP1A2
SCHEMBL22022353 0.89 ADRA2A (0.67) ADRA2ACYP2D6DRD3LMNACYP1A2
SCHEMBL5925629 0.88 ADRA2A (0.73) ADRA2ACYP2D6DRD3LMNACYP1A2
Hydrochloric Acid SCHEMBL5925617 0.87 RAB9A (0.73) ADRA2ACYP2D6DRD3LMNACYP1A2
SCHEMBL18618398 0.87 ADRA2A (0.71) ADRA2ACYP2D6DRD3LMNACYP1A2
SCHEMBL17068310 0.87 ADRA2A (0.65) ADRA2ACYP2D6DRD3LMNACYP1A2
SCHEMBL17068281 0.86 ADRA2A (0.64) ADRA2ACYP2D6DRD3LMNACYP1A2
SCHEMBL20348394 0.86 ADRA2A (0.64) ADRA2ACYP2D6DRD3LMNACYP1A2

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-119909010-A Methoxychlor hydrochloride injection and preparation method thereof 江西科为制药有限公司 2025-05-02 — — CN disclosed
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