SCHEMBL7462280

SCHEMBL7462280

COC1[C]Cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.40
ADRA2A P08913 4/20 0.40
ADRA2B P18089 3/20 0.40
ADRA2C P18825 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
HTT P42858 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 3/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.37

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
SCHEMBL7462285 0.72 ALDH1A1 (0.43) PNMTADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL3706148 0.69 PNMT (0.55) PNMTADRA2AADRA2BADRA2C
SCHEMBL8108314 0.69 PNMT (0.44) PNMTADRA2AADRA2BADRA2CHTT
SCHEMBL19207373 0.66 TSHR (0.56) CHRNB4CHRNA3TDP1LMNATSHR
SCHEMBL19243529 0.66 TSHR (0.56) CHRNB4CHRNA3TDP1LMNATSHR
SCHEMBL9242959 0.64 CHRNB2 (0.45) PNMTADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL2153927 0.64 PNMT (0.46) PNMTADRA2AADRA2BADRA2CSMN1; SMN2
Dinitrophenylene SCHEMBL27263366 0.64 TSHR (0.81) HTTTDP1LMNATSHRALDH1A1
SCHEMBL16215524 0.63 SNCA (0.42) SMN1; SMN2CHRNB4CHRNA3HTTTDP1
SCHEMBL8607960 0.63 CHRNA7 (0.60) PNMTADRA2AADRA2BADRA2CSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650476-B1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMA CO LTD (JP) 2002-06-26 EP disclosed
CN-1052224-C Peripheral Vasodilating agent containing N-acylated 4-amino piperidine derivatives as active ingredients OTSUKA PHARMA CO LTD (JP) 2000-05-10 CN disclosed
US-5760058-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-06-02 US disclosed
US-5656642-A Peripheral vasodilating agent containing piperidine derivative as active ingredient OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed