SCHEMBL9537873

SCHEMBL9537873

O=C(c1ccc(CCl)cn1)N(C1CCCC1)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.43
S1PR3 Q99500 14/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 2/20 0.41
XBP1 P17861 1/20 0.41
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
RECQL P46063 1/20 0.38
ADAM17 P78536 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
HSD11B1 P28845 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
SCHEMBL9369331 0.78 LMNA (0.55) S1PR1S1PR3GAANPSR1TSHR
SCHEMBL30503691 0.72 MTOR (0.48) S1PR1TSHRHSD11B1
SCHEMBL29024940 0.72 MTOR (0.48) S1PR1TSHRHSD11B1
SCHEMBL9537139 0.71 LMNA (0.48) S1PR1S1PR3GAANPSR1TSHR
SCHEMBL18979742 0.71 P4HTM (0.47) TSHRLMNAKDM4EMEN1ALOX15
SCHEMBL29289785 0.70 S1PR3 (0.55) S1PR1S1PR3GAAKDM4E
SCHEMBL31098649 0.70 S1PR3 (0.55) S1PR1S1PR3GAAKDM4E
SCHEMBL7995510 0.70 P4HTM (0.46) TSHRLMNAKDM4EMEN1ALOX15
SCHEMBL28824869 0.69 S1PR1 (0.39) S1PR1LMNAMEN1KMT2A
SCHEMBL9812799 0.67 HSD11B1 (0.58) S1PR1S1PR3GAANPSR1TSHR

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
EP-0417745-B1 Heteroaryl substituted imidazo [4,5-c] pyridines SEARLE & CO (US) 1993-11-03 EP disclosed
EP-0417745-A2 Heteroaryl substituted imidazo [4,5-c] pyridines G.D. Searle & Co. (US) 1991-03-20 EP disclosed
US-4990518-A Platelet activating factor G. D. SEARLE & CO. (US) 1991-02-05 US disclosed