Cyclopropane

Cyclopropane

SCHEMBL8448561

C1CC1.O=C(O)Nc1ccc2c(c1)c(O)nn2Cc1ccc(Cl)cc1Cl

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
PMP22 Q01453 1/20 0.52
HIF1A Q16665 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.45
LMNA P02545 5/20 0.45
HTT P42858 4/20 0.45
ALDH1A1 P00352 3/20 0.45
JAK2 O60674 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
PTGDR2 Q9Y5Y4 4/20 0.44
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 2/20 0.41

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
Cyclopropane SCHEMBL8521839 0.87 MAPT (0.44) NPSR1CYP1A2CYP2C9CYP2D6TSHR
SCHEMBL8627901 0.86 RAB9A (0.50) NPSR1CYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL8624570 0.86 NPSR1 (0.47) NPSR1CYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL8042523 0.80 NPSR1 (0.51) NPSR1CYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL8447191 0.78 CYP1A2 (0.54) NPSR1CYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL8625640 0.77 MAPT (0.46) NPSR1LMNAHTTNPC1MEN1
SCHEMBL8445913 0.76 CYP1A2 (0.52) NPSR1CYP1A2CYP3A4CYP2C9CYP2D6
SCHEMBL8626596 0.75 MEN1 (0.54) NPSR1SMN1; SMN2LMNAHTTALDH1A1
SCHEMBL8627444 0.75 NPC1 (0.56) CYP2C9TSHRSMN1; SMN2LMNAHTT
SCHEMBL8445591 0.74 CYP2D6 (0.50) NPSR1CYP1A2CYP3A4CYP2C9CYP2D6

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
EP-0888307-A1 1,3,5-TRISUBSTITUTED INDAZOLE DERIVATIVES WITH AN ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING ACTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 1999-01-07 EP claimed
WO-1997034874-A1 1,3,5-TRISUBSTITUTED INDAZOLE DERIVATIVES WITH AN ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING ACTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 1997-09-25 WO claimed