SCHEMBL7317014

SCHEMBL7317014

O=C1CCc2cccc(OCCCc3nnnn3Cc3ccccc3)c2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.41
MAOB P27338 8/20 0.41
ALDH1A1 P00352 6/20 0.39
TSHR P16473 3/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ABCC4 O15439 1/20 0.38
CACNA1F O60840 1/20 0.38
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2C9 P11712 1/20 0.38
THPO P40225 1/20 0.38
OPRK1 P41145 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
CACNA1D Q01668 1/20 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
SCHEMBL7317785 0.85 P2RX4 (0.41) MAOAMAOBALDH1A1TSHRMAPK1
SCHEMBL7310807 0.80 MAOB (0.69) MAOAMAOBALDH1A1TSHRMAPK1
SCHEMBL7309846 0.80 MAOA (0.69) MAOAMAOBALDH1A1TSHRMAPK1
SCHEMBL7311899 0.79 PDE3B (0.62) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL7317714 0.79 PDE3B (0.62) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL19899422 0.76 PDE3B (0.66) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL7312087 0.76 MCL1 (0.39) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL6588791 0.74 CCR1 (0.41) MAOAMAOB
SCHEMBL7318670 0.74 HSD17B10 (0.41) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL7312812 0.72 HTR6 (0.40) ALDH1A1TSHRMEN1KMT2AGAA

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-4277479-A ANTI-ASTHMATIC, HYPOTENSIVE, ANTI-ULCER, ANTIINFLAMMATORY, VASODILATION, ENZYME INHIBITORS, ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-07-07 US disclosed