Propylamine

Propylamine

SCHEMBL10889604

CCCN.O=C(O)c1cccc(Oc2ccc(Cl)cc2Cl)c1[N+](=O)[O-]

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MRGPRX4 Q96LA9 6/20 0.47
CHRM1 P11229 1/20 0.46
HPD P32754 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
CCR2 P41597 3/20 0.43
CDK2 P24941 1/20 0.43
TTR P02766 2/20 0.43
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
Monoethanolamine SCHEMBL10891249 0.93 ALDH1A1 (0.50) ALDH1A1POLBGAAHPGDL3MBTL1
SCHEMBL10585649 0.91 ALDH1A1 (0.53) ALDH1A1POLBGAAHPGDL3MBTL1
Potassium Ion SCHEMBL10890394 0.82 HPD (0.47) ALDH1A1POLBGAAHPGDL3MBTL1
SCHEMBL10793499 0.81 SLC6A4 (0.47) ALDH1A1POLBGAAHPGDL3MBTL1
SCHEMBL11109657 0.80 AKR1C3 (0.49) ALDH1A1POLBHPGDMRGPRX4TDP1
SCHEMBL11092742 0.78 HPGD (0.56) ALDH1A1HPGDL3MBTL1CCR2CDK2
SCHEMBL11094809 0.77 CHRM1 (0.69) MRGPRX4CHRM1HPDTDP1TTR
SCHEMBL5089480 0.77 EPAS1 (0.47) ALDH1A1HPGDMRGPRX4CHRM1TDP1
SCHEMBL641133 0.77 HPGD (0.62) ALDH1A1POLBGAAHPGDL3MBTL1
SCHEMBL30539397 0.76 TDP1 (0.64) POLBMRGPRX4TDP1CCR2TTR

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
US-RE32316-E HERBICIDES RHONE-POULENC AGROCHIMIE (FR) 1986-12-30 US disclosed
US-3983168-A HERBICIDES MOBIL OIL CORPORATION (US) 1976-09-28 US disclosed