Propylamine

Propylamine

SCHEMBL11088977

CCCN.CCCNc1ccnn1-c1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.44
POLB P06746 2/20 0.44
ABCB1 P08183 2/20 0.43
LMNA P02545 3/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C18 P33260 2/20 0.43
TSHR P16473 2/20 0.43
NFKB1 P19838 2/20 0.43
CYP3A4 P08684 1/20 0.43
THPO P40225 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CTSK P43235 2/20 0.42
SOAT2 O75908 2/20 0.41
SOAT1 P35610 2/20 0.41
CYP2C8 P10632 2/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL27676108 0.85 SOAT2 (0.52) CYP2C9POLBABCB1LMNACYP2C19
SCHEMBL9453146 0.84 SOAT1 (0.58) CYP2C9POLBABCB1LMNACYP2C19
SCHEMBL11086699 0.82 SOAT1 (0.60) CYP2C9LMNACYP2C19TSHRNFKB1
SCHEMBL14973857 0.74 CYP2C9 (0.48) CYP2C9POLBLMNACYP2C19CYP2C18
SCHEMBL3973316 0.72 CYP2C9 (0.56) CYP2C9POLBLMNACYP2C19CYP2C18
SCHEMBL5266895 0.72 CYP2C9 (0.44) CYP2C9LMNACYP2C19CYP2C18TSHR
SCHEMBL20413716 0.72 CYP2C9 (0.46) CYP2C9POLBLMNACYP2C19CYP2C18
SCHEMBL3433504 0.71 CYP2C9 (0.55) CYP2C9POLBLMNACYP2C19CYP2C18
SCHEMBL4255883 0.71 CYP2C9 (0.52) CYP2C9POLBLMNACYP2C19CYP2C18
SCHEMBL27678180 0.71 OXTR (0.44) CYP2C9LMNACYP2C19TSHRNFKB1

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
US-4460773-A ANTITUMOR AGENTS, VIRICIDES LION CORPORATION (JP) 1984-07-17 US disclosed