SCHEMBL7427458

SCHEMBL7427458

N#Cc1ccc(CCCCN)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.59
TSHR P16473 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MAOA P21397 2/20 0.54
KCNJ1 P48048 1/20 0.48
KCNH2 Q12809 1/20 0.48
HRH1 P35367 2/20 0.48
CYP2A6 P11509 1/20 0.48
HTR2A P28223 2/20 0.44
IDO1 P14902 2/20 0.43
MAOB P27338 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
CYP19A1 P11511 2/20 0.40

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
SCHEMBL7387511 0.98 TSHR (0.61) LOXL2TSHRHSD17B10MAOAKCNJ1
Hydrochloric Acid SCHEMBL7415902 0.98 LOXL2 (0.57) LOXL2TSHRHSD17B10MAOAKCNJ1
SCHEMBL5609246 0.98 TSHR (0.61) LOXL2TSHRHSD17B10MAOAKCNJ1
SCHEMBL4949211 0.94 LOXL2 (0.61) LOXL2TSHRHSD17B10MAOAKCNJ1
Hydrochloric Acid SCHEMBL7418452 0.92 LOXL2 (0.59) LOXL2TSHRHSD17B10MAOAKCNJ1
SCHEMBL10569888 0.89 TSHR (0.68) LOXL2TSHRHSD17B10MAOAKCNJ1
SCHEMBL16582463 0.87 TSHR (0.71) LOXL2TSHRHSD17B10MAOAKCNJ1
SCHEMBL16582531 0.87 TSHR (0.71) LOXL2TSHRHSD17B10MAOAKCNJ1
SCHEMBL10569117 0.87 TSHR (0.71) LOXL2TSHRHSD17B10MAOAKCNJ1
SCHEMBL929380 0.85 LOXL2 (0.67) LOXL2TSHRHSD17B10MAOAKCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0659193-B1 PLATELET AGGREGATION INHIBITORS SEARLE & CO (US) 1997-12-10 EP disclosed
EP-0659193-A1 PLATELET AGGREGATION INHIBITORS G.D. Searle & Co. (US) 1995-06-28 EP disclosed
US-5354738-A Amino acid derivatives G. D. SEARLE & CO. (US) 1994-10-11 US disclosed
WO-1994005694-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-03-17 WO disclosed