SCHEMBL7328646

SCHEMBL7328646

[CH2]CCCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
SIGMAR1 Q99720 2/20 0.56
LMNA P02545 1/20 0.53
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HPGD P15428 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TRPV1 Q8NER1 1/20 0.46
ACHE P22303 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALOX15 P16050 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL3029808 0.95 TSHR (0.57) TSHRSIGMAR1LMNAALDH1A1MEN1
SCHEMBL7471982 0.93 TSHR (0.56) TSHRSIGMAR1LMNAALDH1A1MEN1
SCHEMBL7207567 0.89 TSHR (0.62) TSHRSIGMAR1LMNAALDH1A1MEN1
SCHEMBL8867687 0.84 TSHR (0.61) TSHRSIGMAR1LMNAALDH1A1MEN1
SCHEMBL6998770 0.83 TSHR (0.59) TSHRSIGMAR1LMNAALDH1A1MEN1
SCHEMBL9172279 0.83 TSHR (0.59) TSHRSIGMAR1LMNAALDH1A1MEN1
SCHEMBL1935375 0.83 TSHR (0.69) TSHRSIGMAR1LMNAALDH1A1MEN1
SCHEMBL81026 0.83 TSHR (0.59) TSHRSIGMAR1LMNAALDH1A1MEN1
SCHEMBL9172285 0.83 TSHR (0.59) TSHRSIGMAR1LMNAALDH1A1MEN1
SCHEMBL81981 0.83 TSHR (0.59) TSHRSIGMAR1LMNAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385914-A Cardiotonic carbostyril agents for treating heart ailments OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0355583-B1 Cardiotonics OTSUKA PHARMA CO LTD (JP) 1995-01-25 EP disclosed
US-5266577-A Method of treating congestive heart failure using carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY LTD. (JP) 1993-11-30 US disclosed
US-5198448-A Cardiovascular disorders OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1993-03-30 US disclosed
US-5053514-A Side effect reduction; carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-10-01 US disclosed
EP-0355583-A2 Cardiotonics OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed
US-4895846-A CARDIOVASCULAR DISORDERS BRISTOL-MYERS COMPANY (US) 1990-01-23 US disclosed
US-4755512-A Pharmaceutically useful dihydropyridinyldicarboxylate amides and esters incorporating arylpiperazinylalkyl moities BRISTOL-MYERS COMPANY (US) 1988-07-05 US disclosed
US-4414213-A CARDIOVASCULAR DISORDERS MEAD JOHNSON & COMPANY (US) 1983-11-08 US disclosed