Propane

Propane

SCHEMBL6216652

CCC.NN1CCc2ccccc21

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
USP2 O75604 1/20 0.52
CDK4 P11802 1/20 0.52
ALOX15 P16050 1/20 0.52
CCND1 P24385 1/20 0.52
POLB P06746 3/20 0.46
MAPT P10636 5/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
PTK2B Q14289 1/20 0.46
ESR2 Q92731 1/20 0.46
NOTUM Q6P988 2/20 0.46
TSHR P16473 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
HTR2A P28223 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOA P21397 1/20 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
SCHEMBL29625280 0.92 MEN1 (0.54) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL112247 0.92 MEN1 (0.54) ALDH1A1MEN1KMT2AUSP2CDK4
Hydrochloric Acid SCHEMBL1163794 0.90 MEN1 (0.52) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL5739994 0.82 DRD2 (0.53) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL483231 0.79 SMN1; SMN2 (0.53) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL29612036 0.79 SMN1; SMN2 (0.53) ALDH1A1MEN1KMT2AUSP2CDK4
Hydrochloric Acid SCHEMBL5428326 0.78 SMN1; SMN2 (0.52) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL1447375 0.78 TSHR (0.48) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL1448243 0.76 AVPR2 (0.46) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL9837085 0.76 AVPR2 (0.46) ALDH1A1MEN1KMT2AUSP2CDK4

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
EP-1202964-B1 CONDENSED INDOLINE DERIVATIVES AND THEIR USE AS 5HT, IN PARTICULAR 5HT2C, RECEPTOR LIGANDS VERNALIS RES LTD (GB) 2005-10-12 EP disclosed