Propane

Propane

SCHEMBL8097208

CCC.CNCC=C(C)C

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL84317 0.94
Hydrochloric Acid SCHEMBL22771576 0.91
SCHEMBL13920867 0.74
SCHEMBL387597 0.73
SCHEMBL794656 0.72 KMT2A (0.62) FNTAFNTBKMT2A
SCHEMBL20879345 0.72 KMT2A (0.62) FNTAFNTBKMT2A
SCHEMBL798172 0.72 KMT2A (0.62) FNTAFNTBKMT2A
SCHEMBL433370 0.71 KMT2A (0.35) NOS1KMT2A
SCHEMBL3951138 0.71 KMT2A (0.67) FNTAFNTBKMT2A
SCHEMBL8461809 0.71 KMT2A (0.67) FNTAFNTBKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057371-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-05-02 US disclosed
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP disclosed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO disclosed