SCHEMBL31619340

SCHEMBL31619340

CCCN(C=O)CC(O)COc1ccccc1C(=O)CCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 17/20 0.76
▸ TSHR P16473 2/20 0.72
▸ LMNA P02545 2/20 0.66
▸ CYP1A2 P05177 2/20 0.66
▸ CYP2D6 P10635 2/20 0.66
▸ CYP3A4 P08684 2/20 0.66
▸ KCNH2 Q12809 2/20 0.66
▸ KCNK3 O14649 1/20 0.66
▸ SLC22A1 O15245 1/20 0.66
▸ ABCC9 O60706 1/20 0.66
▸ KCNK2 O95069 1/20 0.66
▸ ABCB11 O95342 1/20 0.66
▸ ADRB2 P07550 1/20 0.66
▸ ADRB1 P08588 1/20 0.66
▸ ADRB3 P13945 1/20 0.66
▸ ADRA2C P18825 1/20 0.66
▸ SLC6A2 P23975 1/20 0.66
▸ HTR2A P28223 1/20 0.66
▸ HTR2C P28335 1/20 0.66
▸ SLC6A4 P31645 1/20 0.66

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
SCHEMBL8191703 0.86 ABCB1 (1.00) ABCB1TSHRLMNACYP1A2CYP2D6
SCHEMBL11918307 0.85 ABCB1 (0.78) ABCB1TSHRLMNACYP1A2CYP2D6
SCHEMBL10123922 0.85 ABCB1 (0.89) ABCB1TSHRLMNACYP1A2CYP2D6
SCHEMBL1331282 0.84 ABCB1 (1.00) ABCB1TSHRLMNACYP1A2CYP2D6
SCHEMBL10109275 0.83 ABCB1 (0.76) ABCB1TSHRLMNACYP1A2CYP2D6
SCHEMBL2739140 0.82 ABCB1 (0.74) ABCB1TSHRLMNACYP1A2CYP2D6
SCHEMBL29684673 0.82 ABCB1 (1.00) ABCB1TSHRLMNACYP1A2CYP2D6
SCHEMBL31619332 0.82 KCNH2 (0.85) ABCB1TSHRLMNACYP1A2CYP2D6
SCHEMBL2739138 0.81 ABCB1 (0.71) ABCB1TSHRLMNACYP1A2CYP2D6
SCHEMBL2739134 0.80 ABCB1 (0.70) ABCB1TSHRLMNACYP1A2CYP2D6

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-120142496-A Method for detecting impurities in propafenone hydrochloride injection 华夏生生药业(北京)有限公司 2025-06-13 — — CN claimed
CN-120142496-A Method for detecting impurities in propafenone hydrochloride injection 华夏生生药业(北京)有限公司 2025-06-13 — — CN disclosed
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